@article{doi:10.1021/jacs.4c03174,
  author = {Mudryk, Karen and Lee, Chin and Tomaník, Lukáš and Malerz, Sebastian and Trinter, Florian and Hergenhahn, Uwe and Neumark, Daniel M. and Slavíček, Petr and Bradforth, Stephen and Winter, Bernd},
  title = {How Does Mg2+(aq) Interact with ATP(aq)? Biomolecular Structure through the Lens of Liquid-Jet Photoemission Spectroscopy},
  journal = {Journal of the American Chemical Society},
  volume = {146},
  number = {23},
  pages = {16062-16075},
  year = {2024},
  doi = {10.1021/jacs.4c03174},
  note ={PMID: 38802319},
  URL = {https://doi.org/10.1021/jacs.4c03174},
  eprint = { https://doi.org/10.1021/jacs.4c031},
  abstract = { Liquid-jet photoemission spectroscopy (LJ-PES) allows for a direct probing of electronic structure in aqueous solutions. We show the applicability of the approach to biomolecules in a complex environment, exploring site-specific information on the interaction of adenosine triphosphate in the aqueous phase (ATP(aq)) with magnesium (Mg2+(aq)), highlighting the synergy brought about by the simultaneous analysis of different regions in the photoelectron spectrum. In particular, we demonstrate intermolecular Coulombic decay (ICD) spectroscopy as a new and powerful addition to the arsenal of techniques for biomolecular structure investigation. We apply LJ-PES assisted by electronic-structure calculations to study ATP(aq) solutions with and without dissolved Mg2+. Valence photoelectron data reveal spectral changes in the phosphate and adenine features of ATP(aq) due to interactions with the divalent cation. Chemical shifts in Mg 2p, Mg 2s, P 2p, and P 2s core-level spectra as a function of the Mg2+/ATP concentration ratio are correlated to the formation of [Mg(ATP) 2]6–(aq), [MgATP]2–(aq), and [Mg2ATP](aq) complexes, demonstrating the element sensitivity of the technique to Mg2+–phosphate interactions. The most direct probe of the intermolecular interactions between ATP(aq) and Mg2+(aq) is delivered by the emerging ICD electrons following ionization of Mg 1s electrons. ICD spectra are shown to sensitively probe ligand exchange in the Mg2+–ATP(aq) coordination environment. In addition, we report and compare P 2s data from ATP(aq) and adenosine mono- and diphosphate (AMP(aq) and ADP(aq), respectively) solutions, probing the electronic structure of the phosphate chain and the local environment of individual phosphate units in ATP(aq). Our results provide a comprehensive view of the electronic structure of ATP(aq) and Mg2+–ATP(aq) complexes relevant to phosphorylation and dephosphorylation reactions that are central to bioenergetics in living organisms. },
  bibbase_note={<img src="https://pubs.acs.org/cms/10.1021/jacs.4c03174/asset/images/medium/ja4c03174_0009.gif">}
}

Liquid-jet photoemission spectroscopy (LJ-PES) allows for a direct probing of electronic structure in aqueous solutions. We show the applicability of the approach to biomolecules in a complex environment, exploring site-specific information on the interaction of adenosine triphosphate in the aqueous phase (ATP(aq)) with magnesium (Mg2+(aq)), highlighting the synergy brought about by the simultaneous analysis of different regions in the photoelectron spectrum. In particular, we demonstrate intermolecular Coulombic decay (ICD) spectroscopy as a new and powerful addition to the arsenal of techniques for biomolecular structure investigation. We apply LJ-PES assisted by electronic-structure calculations to study ATP(aq) solutions with and without dissolved Mg2+. Valence photoelectron data reveal spectral changes in the phosphate and adenine features of ATP(aq) due to interactions with the divalent cation. Chemical shifts in Mg 2p, Mg 2s, P 2p, and P 2s core-level spectra as a function of the Mg2+/ATP concentration ratio are correlated to the formation of [Mg(ATP) 2]6–(aq), [MgATP]2–(aq), and [Mg2ATP](aq) complexes, demonstrating the element sensitivity of the technique to Mg2+–phosphate interactions. The most direct probe of the intermolecular interactions between ATP(aq) and Mg2+(aq) is delivered by the emerging ICD electrons following ionization of Mg 1s electrons. ICD spectra are shown to sensitively probe ligand exchange in the Mg2+–ATP(aq) coordination environment. In addition, we report and compare P 2s data from ATP(aq) and adenosine mono- and diphosphate (AMP(aq) and ADP(aq), respectively) solutions, probing the electronic structure of the phosphate chain and the local environment of individual phosphate units in ATP(aq). Our results provide a comprehensive view of the electronic structure of ATP(aq) and Mg2+–ATP(aq) complexes relevant to phosphorylation and dephosphorylation reactions that are central to bioenergetics in living organisms.

@article{doi:10.1021/acs.jpcb.4c01223,
	author = {Kumar, Gaurav and Kellogg, Michael and Dey, Shivalee and Oliver, Thomas A. A. and Bradforth, Stephen E.},
	title = {Unraveling the Photoionization Dynamics of Indole in Aqueous and Ethanol Solutions},
	journal = {The Journal of Physical Chemistry B},
	volume = {0},
	number = {0},
	pages = {0},
	year = {2024},
	doi = {10.1021/acs.jpcb.4c01223},
	note ={PMID: 38655896},
	URL = {https://doi.org/10.1021/acs.jpcb.4c01223},
	eprint = { https://doi.org/10.1021/acs.jpcb.4c01223},
	abstract={The photoionization dynamics of indole, the ultraviolet-B chromophore of tryptophan, were explored in water and ethanol using ultrafast transient absorption spectroscopy with 292, 268, and 200 nm excitation. By studying the femtosecond-to-nanosecond dynamics of indole in two different solvents, a new photophysical model has been generated that explains many previously unsolved facets of indole’s complex solution phase photochemistry. Photoionization is only an active pathway for indole in aqueous solution, leading to a reduction in the fluorescence quantum yield in water-rich environments, which is frequently used in biophysical experiments as a key signature of the protein-folded state. Photoionization of indole in aqueous solution was observed for all three pump wavelengths but via two different mechanisms. For 200 nm excitation, electrons are ballistically ejected directly into the bulk solvent. Conversely, 292 and 268 nm excitation populates an admixture of two 1ππ* states, which form a dynamic equilibrium with a tightly bound indole cation and electron–ion pair. The ion pair dissociates on a nanosecond time scale, generating separated solvated electrons and indole cations. The charged species serve as important precursors to triplet indole production and greatly enhance the overall intersystem crossing rate. Our proposed photophysical model for indole in aqueous solution is the most appropriate for describing photoinduced dynamics of tryptophan in polypeptide sequences; tryptophan in aqueous pH 7 solution is zwitterionic, unlike in peptides, and resultantly has a competitive excited state proton transfer pathway that quenches the tryptophan fluorescence.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpcb.4c01223/asset/images/medium/jp4c01223_0007.gif">}
}

The photoionization dynamics of indole, the ultraviolet-B chromophore of tryptophan, were explored in water and ethanol using ultrafast transient absorption spectroscopy with 292, 268, and 200 nm excitation. By studying the femtosecond-to-nanosecond dynamics of indole in two different solvents, a new photophysical model has been generated that explains many previously unsolved facets of indole’s complex solution phase photochemistry. Photoionization is only an active pathway for indole in aqueous solution, leading to a reduction in the fluorescence quantum yield in water-rich environments, which is frequently used in biophysical experiments as a key signature of the protein-folded state. Photoionization of indole in aqueous solution was observed for all three pump wavelengths but via two different mechanisms. For 200 nm excitation, electrons are ballistically ejected directly into the bulk solvent. Conversely, 292 and 268 nm excitation populates an admixture of two 1ππ* states, which form a dynamic equilibrium with a tightly bound indole cation and electron–ion pair. The ion pair dissociates on a nanosecond time scale, generating separated solvated electrons and indole cations. The charged species serve as important precursors to triplet indole production and greatly enhance the overall intersystem crossing rate. Our proposed photophysical model for indole in aqueous solution is the most appropriate for describing photoinduced dynamics of tryptophan in polypeptide sequences; tryptophan in aqueous pH 7 solution is zwitterionic, unlike in peptides, and resultantly has a competitive excited state proton transfer pathway that quenches the tryptophan fluorescence.

@article{doi:10.1021/acs.jpcc.4c01994,
	author = {Kellogg, Michael S. and Mencke, Austin R. and Muniz, Collin N. and Nattikallungal, Thabassum A. and Cardoso-Delgado, Fabiola and Baluyot-Reyes, Nina and Sewell, Marielle and Bird, Matthew J. and Bradforth, Stephen E. and Thompson, Mark E.},
	title = {Intra- and Intermolecular Charge-Transfer Dynamics of Carbene–Metal–Amide Photosensitizers},
	journal = {The Journal of Physical Chemistry C},
	volume = {128},
	number = {16},
	pages = {6621-6635},
	year = {2024},
	doi = {10.1021/acs.jpcc.4c01994},
	URL = {https://doi.org/10.1021/acs.jpcc.4c01994},
	eprint = {https://doi.org/10.1021/acs.jpcc.4c01994},
	abstract={A series of steady-state and time-resolved spectroscopies were performed on a set of eight carbene–metal–amide (cMa) complexes, where M = Cu and Au, that have been used as photosensitizers for photosensitized electrocatalytic reactions. Using ps-to-ns and ns-to-ms transient absorption spectroscopies (psTA and nsTA, respectively), the excited-state kinetics from light absorption, intersystem crossing (ISC), and eventually intermolecular charge transfer were thoroughly characterized. Using time-correlated single photon counting (TCSPC) and psTA with a thermally activated delayed fluorescence (TADF) model, the variation in intersystem crossing (ISC), (S1 → T1) rates (∼3–120 × 109 s–1), and ΔEST values (73–115 meV) for these compounds were fully characterized, reflecting systematic changes to the carbene, carbazole, and metal. The psTA additionally revealed an early time relaxation (rate ∼0.2–0.8 × 1012 s–1) attributed to solvent relaxation and vibrational cooling. The nsTA experiments for a gold-based cMa complex demonstrated efficient intermolecular charge transfer from the excited cMa to an electron acceptor. Pulse radiolysis and bulk electrolysis experiments allowed us to identify the character of the transient excited states as ligand–ligand charge transfer as well as the spectroscopic signature of oxidized and reduced forms of the cMa photosensitizer.},
	bibbase_note={<img src="https://pubs.acs.org/cms/10.1021/acs.jpcc.4c01994/asset/images/medium/jp4c01994_0012.gif">}
}

A series of steady-state and time-resolved spectroscopies were performed on a set of eight carbene–metal–amide (cMa) complexes, where M = Cu and Au, that have been used as photosensitizers for photosensitized electrocatalytic reactions. Using ps-to-ns and ns-to-ms transient absorption spectroscopies (psTA and nsTA, respectively), the excited-state kinetics from light absorption, intersystem crossing (ISC), and eventually intermolecular charge transfer were thoroughly characterized. Using time-correlated single photon counting (TCSPC) and psTA with a thermally activated delayed fluorescence (TADF) model, the variation in intersystem crossing (ISC), (S1 → T1) rates (∼3–120 × 109 s–1), and ΔEST values (73–115 meV) for these compounds were fully characterized, reflecting systematic changes to the carbene, carbazole, and metal. The psTA additionally revealed an early time relaxation (rate ∼0.2–0.8 × 1012 s–1) attributed to solvent relaxation and vibrational cooling. The nsTA experiments for a gold-based cMa complex demonstrated efficient intermolecular charge transfer from the excited cMa to an electron acceptor. Pulse radiolysis and bulk electrolysis experiments allowed us to identify the character of the transient excited states as ligand–ligand charge transfer as well as the spectroscopic signature of oxidized and reduced forms of the cMa photosensitizer.

@article{Nemirovich_2024, 
 	title={Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction}, 
 	ISSN={1520-5126}, 
 	url={http://dx.doi.org/10.1021/jacs.3c11655}, 
 	DOI={10.1021/jacs.3c11655}, 
 	journal={Journal of the American Chemical Society}, 
 	publisher={American Chemical Society (ACS)}, 
 	author={Nemirovich, Tatiana and Young, Brandon and Brezina, Krystof and Mason, Philip E. and Seidel, Robert and Stemer, Dominik and Winter, Bernd and Jungwirth, Pavel and Bradforth, Stephen E. and Schewe, H. Christian}, 
 	year={2024}, 
 	abstract={We investigate the electronic structure of aromatic radical anions in the solution phase employing a combination of liquid-jet (LJ) photoelectron (PE) spectroscopy measurements and electronic structure calculations. By using recently developed protocols, we accurately determine the vertical ionization energies of valence electrons of both the solvent and the solute molecules. In particular, we first characterize the pure solvent of tetrahydrofuran (THF) by LJ-PE measurements in conjunction with ab initio molecular dynamics simulations and G0W0 calculations. Next, we determine the electronic structure of neutral naphthalene (Np) and benzophenone (Bp) as well as their radical anion counterparts Np- and Bp- in THF. Wherever feasible, we performed orbital assignments of the measured PE features of the aromatic radical anions, with comparisons to UV-vis absorption spectra of the corresponding neutral molecules being instrumental in rationalizing the assignments. Analysis of the electronic structure differences between the neutral species and their anionic counterparts provides understanding of the primarily electrostatic stabilization of the radical anions in solution. Finally, we obtain a very good agreement of the reduction potentials extracted from the present LJ-PES measurements of Np- and Bp- in THF with previous electrochemical data from cyclic voltammetry measurements. In this context, we discuss how the choice of solvent holds significant implications for optimizing conditions for the Birch reduction process, wherein aromatic radical anions play crucial roles as reactive intermediates.},
 	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/jacs.3c11655/asset/images/medium/ja3c11655_0008.gif">},
 	bibbase_image = {<img src="https://pubs.acs.org/cms/10.1021/jacsat.2024.146.issue-12/asset/18e7ebcc-0418-7ebc-f041-e7ebccf0418e/jacsat.2024.146.issue-12.largecover.jpg">},
}

We investigate the electronic structure of aromatic radical anions in the solution phase employing a combination of liquid-jet (LJ) photoelectron (PE) spectroscopy measurements and electronic structure calculations. By using recently developed protocols, we accurately determine the vertical ionization energies of valence electrons of both the solvent and the solute molecules. In particular, we first characterize the pure solvent of tetrahydrofuran (THF) by LJ-PE measurements in conjunction with ab initio molecular dynamics simulations and G0W0 calculations. Next, we determine the electronic structure of neutral naphthalene (Np) and benzophenone (Bp) as well as their radical anion counterparts Np- and Bp- in THF. Wherever feasible, we performed orbital assignments of the measured PE features of the aromatic radical anions, with comparisons to UV-vis absorption spectra of the corresponding neutral molecules being instrumental in rationalizing the assignments. Analysis of the electronic structure differences between the neutral species and their anionic counterparts provides understanding of the primarily electrostatic stabilization of the radical anions in solution. Finally, we obtain a very good agreement of the reduction potentials extracted from the present LJ-PES measurements of Np- and Bp- in THF with previous electrochemical data from cyclic voltammetry measurements. In this context, we discuss how the choice of solvent holds significant implications for optimizing conditions for the Birch reduction process, wherein aromatic radical anions play crucial roles as reactive intermediates.

@article{Bain_2023, 
 	title={High-Throughput Screening for Ultrafast Photochemical Reaction Discovery}, 
 	volume={14}, 
 	ISSN={1948-7185}, 
 	url={http://dx.doi.org/10.1021/acs.jpclett.3c02389}, 
 	DOI={10.1021/acs.jpclett.3c02389}, 
 	number={44}, 
 	journal={The Journal of Physical Chemistry Letters}, 
 	publisher={American Chemical Society (ACS)}, 
 	author={Bain, Matthew and Godínez Castellanos, José L. and Bradforth, Stephen E.}, 
 	year={2023}, 
 	pages={9864–9871},
 	abstract = {High-repetition-rate lasers present an opportunity to extend ultrafast spectroscopy from a detailed probe of singular model photochemical systems to a routine analysis technique in training machine learning models to aid the design cycle of photochemical syntheses. We bring together innovations in line scan cameras and micro-electro-mechanical grating modulators with sample delivery via high-pressure liquid chromatography pumps to demonstrate a transient absorption spectrometer that can characterize photoreactions initiated with ultrashort ultraviolet pulses in a time scale of minutes. Furthermore, we demonstrate that the ability to rapidly screen an important class of photochemical system, pyrimidine nucleosides, can be used to explore the effect of conformational modification on the evolution of excited-state processes.},
 	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpclett.3c02389/asset/images/medium/jz3c02389_0006.gif">}
}

High-repetition-rate lasers present an opportunity to extend ultrafast spectroscopy from a detailed probe of singular model photochemical systems to a routine analysis technique in training machine learning models to aid the design cycle of photochemical syntheses. We bring together innovations in line scan cameras and micro-electro-mechanical grating modulators with sample delivery via high-pressure liquid chromatography pumps to demonstrate a transient absorption spectrometer that can characterize photoreactions initiated with ultrashort ultraviolet pulses in a time scale of minutes. Furthermore, we demonstrate that the ability to rapidly screen an important class of photochemical system, pyrimidine nucleosides, can be used to explore the effect of conformational modification on the evolution of excited-state processes.

@article{Crans_2023, 
 	title={The surface chemistry of ionic liquid-treated CsPbBr3 quantum dots}, 
 	volume={158}, 
 	ISSN={1089-7690}, 
 	url={http://dx.doi.org/10.1063/5.0147918}, 
 	DOI={10.1063/5.0147918}, 
 	number={17}, 
 	journal={The Journal of Chemical Physics}, 
 	publisher={AIP Publishing}, 
 	author={Crans, Kyle D. and Bain, Matthew and Bradforth, Stephen E. and Oron, Dan and Kazes, Miri and Brutchey, Richard L.}, 
 	year={2023}, 
 	abstract = {The power conversion efficiencies of lead halide perovskite thin film solar cells have surged in the short time since their inception. Compounds, such as ionic liquids (ILs), have been explored as chemical additives and interface modifiers in perovskite solar cells, contributing to the rapid increase in cell efficiencies. However, due to the small surface area-to-volume ratio of the large grained polycrystalline halide perovskite films, an atomistic understanding of the interaction between ILs and perovskite surfaces is limited. Here, we use quantum dots (QDs) to study the coordinative surface interaction between phosphonium-based ILs and CsPbBr3. When native oleylammonium oleate ligands are exchanged off the QD surface with the phosphonium cation as well as the IL anion, a threefold increase in photoluminescent quantum yield of as-synthesized QDs is observed. The CsPbBr3 QD structure, shape, and size remain unchanged after ligand exchange, indicating only a surface ligand interaction at approximately equimolar additions of the IL. Increased concentrations of the IL lead to a disadvantageous phase change and a concomitant decrease in photoluminescent quantum yields. Valuable information regarding the coordinative interaction between certain ILs and lead halide perovskites has been elucidated and can be used for informed pairing of beneficial combinations of IL cations and anions.},
 	bibbase_note = {<img src="https://aipp.silverchair-cdn.com/aipp/content_public/journal/jcp/158/17/10.1063_5.0147918/1/m_174709_1_5.0147918.figures.online.f4.jpeg?Expires=1715519872&Signature=jFY81bFmvCr9RqEfC2AyUonsIjK1AF2yfEadkxGZfFHOpAYHLXWU9xvjfPlpF8iiyhdNKyMUzhXg~B0P5NcTk4VFkrFWdzWSxkznrHg5u1KQfGTM0hGkmRT7zKbSkBWAS1Rweov4N3lzfLdfcXAxIkoUX0aLZdSmtvsqjciQ7D2BqIiurB6NbXTg9I3PF~-NCXiBhmhT~XCGgjP6EIizg1ik8nUwsgZqu0MI68eEw1volArz4Rf1PJrtWF9MgCE7HUumrWca010TGjClovmek-ZXzWpfARCebHQZuG-hQTXg9gnIqJ44IfFYVRpTpONSJ4mHBksP-rsneBkumjG1BQ__&Key-Pair-Id=APKAIE5G5CRDK6RD3PGA">}
}

The power conversion efficiencies of lead halide perovskite thin film solar cells have surged in the short time since their inception. Compounds, such as ionic liquids (ILs), have been explored as chemical additives and interface modifiers in perovskite solar cells, contributing to the rapid increase in cell efficiencies. However, due to the small surface area-to-volume ratio of the large grained polycrystalline halide perovskite films, an atomistic understanding of the interaction between ILs and perovskite surfaces is limited. Here, we use quantum dots (QDs) to study the coordinative surface interaction between phosphonium-based ILs and CsPbBr3. When native oleylammonium oleate ligands are exchanged off the QD surface with the phosphonium cation as well as the IL anion, a threefold increase in photoluminescent quantum yield of as-synthesized QDs is observed. The CsPbBr3 QD structure, shape, and size remain unchanged after ligand exchange, indicating only a surface ligand interaction at approximately equimolar additions of the IL. Increased concentrations of the IL lead to a disadvantageous phase change and a concomitant decrease in photoluminescent quantum yields. Valuable information regarding the coordinative interaction between certain ILs and lead halide perovskites has been elucidated and can be used for informed pairing of beneficial combinations of IL cations and anions.

@article{Bradforth_2023, 
 	title={Liquids in Vacuum: A Contradiction that Launched a Thousand Experiments}, 
 	olume={56}, 
 	ISSN={1520-4898}, 
 	url={http://dx.doi.org/10.1021/acs.accounts.3c00082}, 
 	DOI={10.1021/acs.accounts.3c00082}, 
 	number={6}, 
 	journal={Accounts of Chemical Research}, 
 	publisher={American Chemical Society (ACS)}, 
 	author={Bradforth, Stephen and Nathanson, Gilbert and Seidel, Robert}, 
 	year={2023}, 
 	pages={623–624} ,
 	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/achre4.2023.56.issue-6/asset/18702f8a-aa18-02f8-5aa1-702f8a5aa187/achre4.2023.56.issue-6.largecover.jpg">}
}

@article{Alfaraidi_2023, 
 	title={Temperature dependence of radiative and non-radiative decay in the luminescence of one-dimensional pyridinium lead halide hybrids}, 
 	volume={25}, 
 	ISSN={1463-9084}, 
 	url={http://dx.doi.org/10.1039/D3CP02186F}, 
 	DOI={10.1039/d3cp02186f}, 
 	number={33}, 
 	journal={Physical Chemistry Chemical Physics}, 
 	publisher={Royal Society of Chemistry (RSC)}, 
 	author={Alfaraidi, Abdulrahman M. and Schaab, Jonas and McClure, Eric T. and Kellogg, Michael and Hodgkins, Taylor L. and Idris, Muazzam and Bradforth, Stephen E. and Melot, Brent C. and Thompson, Mark E. and Djurovich, Peter I.}, 
 	year={2023}, 
 	pages={21993–22001},
 	abstract = {The photoluminescence properties of organic–inorganic pyridinium lead bromide [(pyH)PbBr3] and iodide [(pyH)PbI3] compounds were investigated as a function of temperature. The inorganic substructure consists of face-sharing chains of PbX6 octahedra. Diffuse reflectance spectra of the compounds show low energy absorption features consistent with charge transfer transitions from the PbX3 chains to the pyridinium cations. Both compounds display extremely weak luminescence at room temperature that becomes strongly enhanced upon cooling to 77 K. Broad, featureless low energy emission (λem > 600 nm) in both compounds have large Stokes shifts [1.1 eV for (pyH)PbBr3 and 0.46 eV for (pyH)PbI3] and are assigned to transitions from self-trapped excitons on the inorganic chains whereas emission at higher energy in (pyH)PbBr3 (λem = 450 nm) is assigned to luminescence from a free exciton state. Analysis of data from temperature-dependent luminescence intensity measurements gives activation energies (Ea) for non-radiative decay of the self-trapped excitons in (pyH)PbBr3 and (pyH)PbI3, (Ea = 0.077 eV and 0.103 eV, respectively) and for the free exciton in (pyH)PbBr3 (Ea = 0.010 eV). Analysis of temperature dependent luminescence lifetime data indicates another non-radiative decay process in (pyH)PbI3 at higher temperatures (Ea = 0.17 eV). A large increase in the luminescence lifetime of (pyH)PbI3 below 80 K is consistent with thermalization between triplet sublevels. Analysis of the luminescence power dependence for (pyH)PbI3 shows superlinear response suggestive of quenching by static traps.},
 	bibbase_note = {<img src="https://pubs.rsc.org/en/Image/Get?imageInfo.ImageType=GA&imageInfo.ImageIdentifier.ManuscriptID=D3CP02186F&imageInfo.ImageIdentifier.Year=2023">}
}

The photoluminescence properties of organic–inorganic pyridinium lead bromide [(pyH)PbBr3] and iodide [(pyH)PbI3] compounds were investigated as a function of temperature. The inorganic substructure consists of face-sharing chains of PbX6 octahedra. Diffuse reflectance spectra of the compounds show low energy absorption features consistent with charge transfer transitions from the PbX3 chains to the pyridinium cations. Both compounds display extremely weak luminescence at room temperature that becomes strongly enhanced upon cooling to 77 K. Broad, featureless low energy emission (λem > 600 nm) in both compounds have large Stokes shifts [1.1 eV for (pyH)PbBr3 and 0.46 eV for (pyH)PbI3] and are assigned to transitions from self-trapped excitons on the inorganic chains whereas emission at higher energy in (pyH)PbBr3 (λem = 450 nm) is assigned to luminescence from a free exciton state. Analysis of data from temperature-dependent luminescence intensity measurements gives activation energies (Ea) for non-radiative decay of the self-trapped excitons in (pyH)PbBr3 and (pyH)PbI3, (Ea = 0.077 eV and 0.103 eV, respectively) and for the free exciton in (pyH)PbBr3 (Ea = 0.010 eV). Analysis of temperature dependent luminescence lifetime data indicates another non-radiative decay process in (pyH)PbI3 at higher temperatures (Ea = 0.17 eV). A large increase in the luminescence lifetime of (pyH)PbI3 below 80 K is consistent with thermalization between triplet sublevels. Analysis of the luminescence power dependence for (pyH)PbI3 shows superlinear response suggestive of quenching by static traps.

@article{Estergreen_2022,
	doi = {10.1021/acs.accounts.2c00044},
	url = {https://doi.org/10.1021%2Facs.accounts.2c00044},
	year = 2022,
	publisher = {American Chemical Society ({ACS})},
	author = {Laura Estergreen and Austin R. Mencke and Daniel E. Cotton and Nadia V. Korovina and Josef Michl and Sean T. Roberts and Mark E. Thompson and Stephen E. Bradforth},
	title = {Controlling Symmetry Breaking Charge Transfer in {BODIPY} Pairs},
	journal = {Accounts of Chemical Research},
	abstract = {Symmetry breaking charge transfer (SBCT) is a process in which a pair of identical chromophores absorb a photon and use its energy to transfer an electron from one chromophore to the other, breaking the symmetry of the chromophore pair. This excited state phenomenon is observed in photosynthetic organisms where it enables efficient formation of separated charges that ultimately catalyze biosynthesis. SBCT has also been proposed as a means for developing photovoltaics and photocatalytic systems that operate with minimal energy loss. It is known that SBCT in both biological and artificial systems is in part made possible by the local environment in which it occurs, which can move to stabilize the asymmetric SBCT state. However, how environmental degrees of freedom act in concert with steric and structural constraints placed on a chromophore pair to dictate its ability to generate long-lived charge pairs via SBCT remain open topics of investigation.

	In this Account, we compare a broad series of dipyrrin dimers that are linked by distinct bridging groups to discern how the spatial separation and mutual orientation of linked chromophores and the structural flexibility of their linker each impact SBCT efficiency. Across this material set, we observe a general trend that SBCT is accelerated as the spatial separation between dimer chromophores decreases, consistent with the expectation that the electronic coupling between these units varies exponentially with their separation. However, one key observation is that the rate of charge recombination following SBCT was found to slow with decreasing interchromophore separation, rather than speed up. This stems from an enhancement of the dimer’s structural rigidity due to increasing steric repulsion as the length of their linker shrinks. This rigidity further inhibits charge recombination in systems where symmetry has already enforced zero HOMO–LUMO overlap. Additionally, for the forward transfer, the active torsion is shown to increase LUMO–LUMO coupling, allowing for faster SBCT within bridging groups.

	By understanding trends for how rates of SBCT and charge recombination depend on a dimer’s internal structure and its environment, we identify design guidelines for creating artificial systems for driving sustained light-induced charge separation. Such systems can find application in solar energy technologies and photocatalytic applications and can serve as a model for light-induced charge separation in biological systems.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.accounts.2c00044/asset/images/medium/ar2c00044_0008.gif">}
}

Symmetry breaking charge transfer (SBCT) is a process in which a pair of identical chromophores absorb a photon and use its energy to transfer an electron from one chromophore to the other, breaking the symmetry of the chromophore pair. This excited state phenomenon is observed in photosynthetic organisms where it enables efficient formation of separated charges that ultimately catalyze biosynthesis. SBCT has also been proposed as a means for developing photovoltaics and photocatalytic systems that operate with minimal energy loss. It is known that SBCT in both biological and artificial systems is in part made possible by the local environment in which it occurs, which can move to stabilize the asymmetric SBCT state. However, how environmental degrees of freedom act in concert with steric and structural constraints placed on a chromophore pair to dictate its ability to generate long-lived charge pairs via SBCT remain open topics of investigation. In this Account, we compare a broad series of dipyrrin dimers that are linked by distinct bridging groups to discern how the spatial separation and mutual orientation of linked chromophores and the structural flexibility of their linker each impact SBCT efficiency. Across this material set, we observe a general trend that SBCT is accelerated as the spatial separation between dimer chromophores decreases, consistent with the expectation that the electronic coupling between these units varies exponentially with their separation. However, one key observation is that the rate of charge recombination following SBCT was found to slow with decreasing interchromophore separation, rather than speed up. This stems from an enhancement of the dimer’s structural rigidity due to increasing steric repulsion as the length of their linker shrinks. This rigidity further inhibits charge recombination in systems where symmetry has already enforced zero HOMO–LUMO overlap. Additionally, for the forward transfer, the active torsion is shown to increase LUMO–LUMO coupling, allowing for faster SBCT within bridging groups. By understanding trends for how rates of SBCT and charge recombination depend on a dimer’s internal structure and its environment, we identify design guidelines for creating artificial systems for driving sustained light-induced charge separation. Such systems can find application in solar energy technologies and photocatalytic applications and can serve as a model for light-induced charge separation in biological systems.

@article{Bhattacharyya_2021,
	doi = {10.1021/acs.jpca.1c06230},
	url = {https://doi.org/10.1021%2Facs.jpca.1c06230},
	year = 2021,
	publisher = {American Chemical Society ({ACS})},
	author = {Dhritiman Bhattacharyya and Yuyuan Zhang and Christopher G. Elles and Stephen E. Bradforth},
	title = {Electronic Structure of Liquid Alkanes: A Representative Case of Liquid Hexanes and Cyclohexane Studied Using Polarization-Dependent Two-Photon Absorption Spectroscopy},
	journal = {The Journal of Physical Chemistry A},
	abstract = {Two-photon absorption (2PA) spectra of liquid cyclohexane and hexanes are reported for the energy range 6.4–8.5 eV (177–145 nm), providing detailed information about their electronic structures in bulk liquid. Using a broadband pump–probe fashion, we measured the continuous 2PA spectra by simultaneous absorption of a 266 nm (4.6 eV) pump photon and one UV–vis probe photon from the white-light continuum (1.8–3.9 eV). Theoretical one-photon absorption (1PA) and 2PA cross sections of isolated gas phase molecules are computed by the equation of motion coupled-cluster method with single and double substitutions (EOM-CCSD) to substantiate the assignment of the experimental spectra, and the natural transition orbital (NTO) analysis provides visualization of the participating orbitals in a transition. Our analysis suggests that upon solvation transitions at the lowest excitation energy involving promotion of electron to the 3s Rydberg orbitals are blue-shifted (∼0.55 eV for cyclohexane and ∼0.18 eV for hexanes) to a greater extent as compared to those involving other Rydberg orbitals, which is similar to the behavior observed for water and alcohols. All other transitions experience negligible (cyclohexane) or minor red-shift by ∼0.15-0.2 eV (hexane) upon solvation. In both alkanes, the spectra are entirely dominated by Rydberg transitions: the most intense bands in 1PA and 2PA spectra are due to the excitation of electrons to the Rydberg “p” and “d” type orbitals, respectively, although one transition terminating in the 3s Rydberg has significant 2PA strength. This work demonstrates that the gas phase electronic transition properties in alkanes are not significantly altered upon solvation. In addition, electronic structure calculations using an isolated-molecule framework appear to provide a reasonable starting point for a semiquantitative picture for spectral assignment and also to analyze the solvatochromic shifts for liquid phase absorption spectra.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpca.1c06230/asset/images/medium/jp1c06230_0009.gif">}

}

Two-photon absorption (2PA) spectra of liquid cyclohexane and hexanes are reported for the energy range 6.4–8.5 eV (177–145 nm), providing detailed information about their electronic structures in bulk liquid. Using a broadband pump–probe fashion, we measured the continuous 2PA spectra by simultaneous absorption of a 266 nm (4.6 eV) pump photon and one UV–vis probe photon from the white-light continuum (1.8–3.9 eV). Theoretical one-photon absorption (1PA) and 2PA cross sections of isolated gas phase molecules are computed by the equation of motion coupled-cluster method with single and double substitutions (EOM-CCSD) to substantiate the assignment of the experimental spectra, and the natural transition orbital (NTO) analysis provides visualization of the participating orbitals in a transition. Our analysis suggests that upon solvation transitions at the lowest excitation energy involving promotion of electron to the 3s Rydberg orbitals are blue-shifted (∼0.55 eV for cyclohexane and ∼0.18 eV for hexanes) to a greater extent as compared to those involving other Rydberg orbitals, which is similar to the behavior observed for water and alcohols. All other transitions experience negligible (cyclohexane) or minor red-shift by ∼0.15-0.2 eV (hexane) upon solvation. In both alkanes, the spectra are entirely dominated by Rydberg transitions: the most intense bands in 1PA and 2PA spectra are due to the excitation of electrons to the Rydberg “p” and “d” type orbitals, respectively, although one transition terminating in the 3s Rydberg has significant 2PA strength. This work demonstrates that the gas phase electronic transition properties in alkanes are not significantly altered upon solvation. In addition, electronic structure calculations using an isolated-molecule framework appear to provide a reasonable starting point for a semiquantitative picture for spectral assignment and also to analyze the solvatochromic shifts for liquid phase absorption spectra.

@article{Mason_2021,	
	doi = {10.1038/s41586-021-03646-5},	
	url = {https://doi.org/10.1038%2Fs41586-021-03646-5},	
	year = 2021,	
	publisher = {Springer Science and Business Media {LLC}},	
	volume = {595},	
	number = {7869},	
	pages = {673--676},	
	author = {Philip E. Mason and H. Christian Schewe and Tillmann Buttersack and Vojtech Kostal and Marco Vitek and Ryan S. McMullen and Hebatallah Ali and Florian Trinter and Chin Lee and Daniel M. Neumark and Stephan Thürmer and Robert Seidel and Bernd Winter and Stephen E. Bradforth and Pavel Jungwirth},	
	title = {Spectroscopic evidence for a gold-coloured metallic water solution},	
	journal = {Nature},
	abstract = {Insulating materials can in principle be made metallic by applying pressure. In the case of pure water, this is estimated1 to require a pressure of 48 megabar, which is beyond current experimental capabilities and may only exist in the interior of large planets or stars2,3,4. Indeed, recent estimates and experiments indicate that water at pressures accessible in the laboratory will at best be superionic with high protonic conductivity5, but not metallic with conductive electrons1. Here we show that a metallic water solution can be prepared by massive doping with electrons upon reacting water with alkali metals. Although analogous metallic solutions of liquid ammonia with high concentrations of solvated electrons have long been known and characterized6,7,8,9, the explosive interaction between alkali metals and water10,11 has so far only permitted the preparation of aqueous solutions with low, submetallic electron concentrations12,13,14. We found that the explosive behaviour of the water–alkali metal reaction can be suppressed by adsorbing water vapour at a low pressure of about 10−4 millibar onto liquid sodium–potassium alloy drops ejected into a vacuum chamber. This set-up leads to the formation of a transient gold-coloured layer of a metallic water solution covering the metal alloy drops. The metallic character of this layer, doped with around 5 × 1021 electrons per cubic centimetre, is confirmed using optical reflection and synchrotron X-ray photoelectron spectroscopies.},
	bibbase_note = {<img src="https://media.springernature.com/lw685/springer-static/image/art%3A10.1038%2Fs41586-021-03646-5/MediaObjects/41586_2021_3646_Fig1_HTML.png?as=webp">}
}

Insulating materials can in principle be made metallic by applying pressure. In the case of pure water, this is estimated1 to require a pressure of 48 megabar, which is beyond current experimental capabilities and may only exist in the interior of large planets or stars2,3,4. Indeed, recent estimates and experiments indicate that water at pressures accessible in the laboratory will at best be superionic with high protonic conductivity5, but not metallic with conductive electrons1. Here we show that a metallic water solution can be prepared by massive doping with electrons upon reacting water with alkali metals. Although analogous metallic solutions of liquid ammonia with high concentrations of solvated electrons have long been known and characterized6,7,8,9, the explosive interaction between alkali metals and water10,11 has so far only permitted the preparation of aqueous solutions with low, submetallic electron concentrations12,13,14. We found that the explosive behaviour of the water–alkali metal reaction can be suppressed by adsorbing water vapour at a low pressure of about 10−4 millibar onto liquid sodium–potassium alloy drops ejected into a vacuum chamber. This set-up leads to the formation of a transient gold-coloured layer of a metallic water solution covering the metal alloy drops. The metallic character of this layer, doped with around 5 × 1021 electrons per cubic centimetre, is confirmed using optical reflection and synchrotron X-ray photoelectron spectroscopies.

@article{Cox_2021,
	doi = {10.1021/jacs.1c01506},
	url = {https://doi.org/10.1021%2Fjacs.1c01506},
	year = 2021,
	publisher = {American Chemical Society ({ACS})},
	volume = {143},
	number = {18},
	pages = {7002--7012},
	author = {Jordan M. Cox and Matthew Bain and Michael Kellogg and Stephen E. Bradforth and Steven A. Lopez},
	title = {Role of the Perfluoro Effect in the Selective Photochemical Isomerization of Hexafluorobenzene},
	journal = {Journal of the American Chemical Society},
	abstract = {Hexafluorobenzene and many of its derivatives exhibit a chemoselective photochemical isomerization, resulting in highly strained, Dewar-type bicyclohexenes. While the changes in absorption and emission associated with benzene hexafluorination have been attributed to the so-called “perfluoro effect”, the resulting electronic structure and photochemical reactivity of hexafluorobenzene is still unclear. We now use a combination of ultrafast time-resolved spectroscopy, multiconfigurational computations, and non-adiabatic dynamics simulations to develop a holistic description of the absorption, emission, and photochemical dynamics of the 4π-electrocyclic ring-closing of hexafluorobenzene and the fluorination effect along the reaction coordinate. Our calculations suggest that the electron-withdrawing fluorine substituents induce a vibronic coupling between the lowest-energy 1B2u (ππ*) and 1E1g (πσ*) excited states by selectively stabilizing the σ-type states. The vibronic coupling occurs along vibrational modes of e2u symmetry which distorts the excited-state minimum geometry resulting in the experimentally broad, featureless absorption bands, and a ∼100 nm Stokes shift in fluorescence—in stark contrast to benzene. Finally, the vibronic coupling is shown to simultaneously destabilize the reaction pathway toward hexafluoro-benzvalene and promote molecular vibrations along the 4π ring-closing pathway, resulting in the chemoselectivity for hexafluoro-Dewar-benzene.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/jacs.1c01506/asset/images/medium/ja1c01506_0011.gif">}
}

Hexafluorobenzene and many of its derivatives exhibit a chemoselective photochemical isomerization, resulting in highly strained, Dewar-type bicyclohexenes. While the changes in absorption and emission associated with benzene hexafluorination have been attributed to the so-called “perfluoro effect”, the resulting electronic structure and photochemical reactivity of hexafluorobenzene is still unclear. We now use a combination of ultrafast time-resolved spectroscopy, multiconfigurational computations, and non-adiabatic dynamics simulations to develop a holistic description of the absorption, emission, and photochemical dynamics of the 4π-electrocyclic ring-closing of hexafluorobenzene and the fluorination effect along the reaction coordinate. Our calculations suggest that the electron-withdrawing fluorine substituents induce a vibronic coupling between the lowest-energy 1B2u (ππ*) and 1E1g (πσ*) excited states by selectively stabilizing the σ-type states. The vibronic coupling occurs along vibrational modes of e2u symmetry which distorts the excited-state minimum geometry resulting in the experimentally broad, featureless absorption bands, and a ∼100 nm Stokes shift in fluorescence—in stark contrast to benzene. Finally, the vibronic coupling is shown to simultaneously destabilize the reaction pathway toward hexafluoro-benzvalene and promote molecular vibrations along the 4π ring-closing pathway, resulting in the chemoselectivity for hexafluoro-Dewar-benzene.

@article{Science2020,
        author = {Tillmann Buttersack  and Philip E. Mason  and Ryan S. McMullen  and H. Christian Schewe  and Tomas Martinek  and Krystof Brezina  and Martin Crhan  and Axel Gomez  and Dennis Hein  and Garlef Wartner  and Robert Seidel  and     Hebatallah Ali  and Stephan Thürmer  and Ondrej Marsalek  and Bernd Winter  and Stephen E. Bradforth  and Pavel Jungwirth },
        title = {Photoelectron spectra of alkali metal–ammonia microjets: From blue electrolyte to bronze metal},
        journal = {Science},
        volume = {368},
        number = {6495},
        pages = {1086-1091},
        year = {2020},
        doi = {10.1126/science.aaz7607},
        URL = {https://www.science.org/doi/abs/10.1126/science.aaz7607},
        eprint = {https://www.science.org/doi/pdf/10.1126/science.aaz7607},
        abstract = {Liquid ammonia is unusual in its capacity to host electrons in stable solution, with vivid blue and bronze colors signifying the low- and high-concentration regimes, respectively. Buttersack et al. used photoelectron spectroscopy and accompanying theoretical simulations to track the precise energetic changes that ensued as steadily rising quantities of electrons were introduced by dissolved lithium, sodium, or potassium (see the Perspective by Isborn). The results point to a gradual transition from the dilute electrolyte solution of paired dielectrons to the more delocalized metallic structure at the highest concentrations. Science, this issue p. 1086; see also p. 1056 Spectra track the transition from electrolyte to metallic solution with rising electron concentration in liquid ammonia. Experimental studies of the electronic structure of excess electrons in liquids—archetypal quantum solutes—have been largely restricted to very dilute electron concentrations. We overcame this limitation by applying soft x-ray photoelectron spectroscopy to characterize excess electrons originating from steadily increasing amounts of alkali metals dissolved in refrigerated liquid ammonia microjets. As concentration rises, a narrow peak at ~2 electron volts, corresponding to vertical photodetachment of localized solvated electrons and dielectrons, transforms continuously into a band with a sharp Fermi edge accompanied by a plasmon peak, characteristic of delocalized metallic electrons. Through our experimental approach combined with ab initio calculations of localized electrons and dielectrons, we obtain a clear picture of the energetics and density of states of the ammoniated electrons over the gradual transition from dilute blue electrolytes to concentrated bronze metallic solutions.},
        bibbase_note = {<img src="https://www.science.org/cms/asset/d7ef3b8b-983f-41a6-a385-bfb3086147b0/science.2020.368.issue-6495.jpg">}
}

Liquid ammonia is unusual in its capacity to host electrons in stable solution, with vivid blue and bronze colors signifying the low- and high-concentration regimes, respectively. Buttersack et al. used photoelectron spectroscopy and accompanying theoretical simulations to track the precise energetic changes that ensued as steadily rising quantities of electrons were introduced by dissolved lithium, sodium, or potassium (see the Perspective by Isborn). The results point to a gradual transition from the dilute electrolyte solution of paired dielectrons to the more delocalized metallic structure at the highest concentrations. Science, this issue p. 1086; see also p. 1056 Spectra track the transition from electrolyte to metallic solution with rising electron concentration in liquid ammonia. Experimental studies of the electronic structure of excess electrons in liquids—archetypal quantum solutes—have been largely restricted to very dilute electron concentrations. We overcame this limitation by applying soft x-ray photoelectron spectroscopy to characterize excess electrons originating from steadily increasing amounts of alkali metals dissolved in refrigerated liquid ammonia microjets. As concentration rises, a narrow peak at  2 electron volts, corresponding to vertical photodetachment of localized solvated electrons and dielectrons, transforms continuously into a band with a sharp Fermi edge accompanied by a plasmon peak, characteristic of delocalized metallic electrons. Through our experimental approach combined with ab initio calculations of localized electrons and dielectrons, we obtain a clear picture of the energetics and density of states of the ammoniated electrons over the gradual transition from dilute blue electrolytes to concentrated bronze metallic solutions.

@article{Gozem_2020,
	doi = {10.1021/acs.jpclett.0c00968},
	url = {https://doi.org/10.1021%2Facs.jpclett.0c00968},
	year = 2020,
	publisher = {American Chemical Society ({ACS})},
	volume = {11},
	number = {13},
	pages = {5162--5170},
	author = {Samer Gozem and Robert Seidel and Uwe Hergenhahn and Evgeny Lugovoy and Bernd Abel and Bernd Winter and Anna I. Krylov and Stephen E. Bradforth},
	title = {Probing the Electronic Structure of Bulk Water at the Molecular Length Scale with Angle-Resolved Photoelectron Spectroscopy},
	journal = {The Journal of Physical Chemistry Letters},
	abstract = {We report a combined experimental and theoretical study of bulk water photoionization. Angular distributions of photoelectrons produced by ionizing the valence bands of neat water using X-ray radiation (250–750 eV) show a limited (∼20%) decrease in the β anisotropy parameter compared to the gas phase, indicating that the electronic structure of the individual water molecules can be probed. We show that, in the high-energy regime, photoionization of bulk can be described using an incoherent superposition of individual molecules, in contrast to a low-energy regime where photoionization probes delocalized entangled states of molecular aggregates. The two regimes—low versus high energy—are limiting cases where the de Broglie wavelength of the photoelectron is larger or smaller than the intermolecular distance between water molecules, respectively. The comparison of measured and computed anisotropies reveals that the reduction in β at high kinetic energies is mostly due to scattering rather than rehybridization due to solvation.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpclett.0c00968/asset/images/medium/jz0c00968_0006.gif">}
}

We report a combined experimental and theoretical study of bulk water photoionization. Angular distributions of photoelectrons produced by ionizing the valence bands of neat water using X-ray radiation (250–750 eV) show a limited (∼20%) decrease in the β anisotropy parameter compared to the gas phase, indicating that the electronic structure of the individual water molecules can be probed. We show that, in the high-energy regime, photoionization of bulk can be described using an incoherent superposition of individual molecules, in contrast to a low-energy regime where photoionization probes delocalized entangled states of molecular aggregates. The two regimes—low versus high energy—are limiting cases where the de Broglie wavelength of the photoelectron is larger or smaller than the intermolecular distance between water molecules, respectively. The comparison of measured and computed anisotropies reveals that the reduction in β at high kinetic energies is mostly due to scattering rather than rehybridization due to solvation.

@article{Buttersack_2020, 
 	title={Deeply cooled and temperature controlled microjets: Liquid ammonia solutions released into vacuum for analysis by photoelectron spectroscopy}, 
 	volume={91}, 
 	ISSN={1089-7623}, 
 	url={http://dx.doi.org/10.1063/1.5141359}, 
 	DOI={10.1063/1.5141359}, 
 	number={4}, 
 	journal={Review of Scientific Instruments}, 
 	publisher={AIP Publishing}, 
 	author={Buttersack, Tillmann and Mason, Philip E. and Jungwirth, Pavel and Schewe, H. Christian and Winter, Bernd and Seidel, Robert and McMullen, Ryan S. and Bradforth, Stephen E.}, 
 	year={2020},
	abstract = {A versatile, temperature controlled apparatus is presented, which generates deeply cooled liquid microjets of condensed gases, expelling them via a small aperture into vacuum for use in photoelectron spectroscopy (PES). The functionality of the design is demonstrated by temperature- and concentration-dependent PES measurements of liquid ammonia and solutions of KI and NH4I in liquid ammonia. The experimental setup is not limited to the usage of liquid ammonia solutions solely.},
	bibbase_note = {<img src="https://aipp.silverchair-cdn.com/aipp/content_public/journal/rsi/91/4/10.1063_1.5141359/5/m_043101_1_f1.jpeg?Expires=1715897703&Signature=3GPzrKtvrsWMHJ-6MaD4SfJiJs2OhyHHYVdxWUdsUpt-PhmodNbft37M~mc85RhjECtMhhOZOi4~9UlvVqhth~4DqjbhoHaNKbyBSAt6niDMyngJ94gxfuDMs6nYEdGLbrQWuyyOiVBdiNrwlT3DR7GN2IdebMzVr4PJbWx95Ome9K6fdQEeBKZQPsrRaxqjay3K4-K6kf0lAHzdu-HHb7HVbrfdLYgDjHlKNfCNSqefeOIPGZh7HxoOy~9W8QIRLdAapqFZR0zywC9t2JKzotqZcV80lE9GdxsxRR45AKrm2SsYrdbqPqVsWj07OgRPpCPLqQDtz-VZkM20s0XyNg__&Key-Pair-Id=APKAIE5G5CRDK6RD3PGA">}
}

A versatile, temperature controlled apparatus is presented, which generates deeply cooled liquid microjets of condensed gases, expelling them via a small aperture into vacuum for use in photoelectron spectroscopy (PES). The functionality of the design is demonstrated by temperature- and concentration-dependent PES measurements of liquid ammonia and solutions of KI and NH4I in liquid ammonia. The experimental setup is not limited to the usage of liquid ammonia solutions solely.

@article{Bhattacharyya_2020,
	doi = {10.1021/acs.jpclett.9b03857},
	url = {https://doi.org/10.1021%2Facs.jpclett.9b03857},
	year = 2020,
	publisher = {American Chemical Society ({ACS})},
	volume = {11},
	number = {5},
	pages = {1656--1661},
	author = {Dhritiman Bhattacharyya and Hikaru Mizuno and Anthony M. Rizzuto and Yuyuan Zhang and Richard J. Saykally and Stephen E. Bradforth},
	title = {New Insights into the Charge-Transfer-to-Solvent Spectrum of Aqueous Iodide: Surface versus Bulk},
	journal = {The Journal of Physical Chemistry Letters},
	abstract = {Liquid phase charge-transfer-to-solvent (CTTS) transitions are important, as they serve as photochemical routes to solvated electrons. In this work, broadband deep-ultraviolet electronic sum frequency generation (DUV-ESFG) and two-photon absorption (2PA) spectroscopic techniques were used to assign and compare the nature of the aqueous iodide CTTS excitations at the air/water interface and in bulk solution. In the one-photon absorption (1PA) spectrum, excitation to the 6s Rydberg-like orbital (5p → 6s) gives rise to a pair of spin–orbit split iodine states, 2P3/2 and 2P1/2. In the 2PA spectra, the lower-energy 2P3/2 peak is absent and the observed 2PA peak, which is ∼0.14 eV blue-shifted relative to the upper 2P1/2 CTTS peak seen in 1PA, arises from 5p → 6p electronic promotion. The band observed in the ESFG spectrum is attributed to mixing of excited states involving 5p → 6p and 5p → 6s promotions caused by both vibronic coupling and the external electric field generated by asymmetric interfacial solvation.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpclett.9b03857/asset/images/medium/jz9b03857_0003.gif">}
}

Liquid phase charge-transfer-to-solvent (CTTS) transitions are important, as they serve as photochemical routes to solvated electrons. In this work, broadband deep-ultraviolet electronic sum frequency generation (DUV-ESFG) and two-photon absorption (2PA) spectroscopic techniques were used to assign and compare the nature of the aqueous iodide CTTS excitations at the air/water interface and in bulk solution. In the one-photon absorption (1PA) spectrum, excitation to the 6s Rydberg-like orbital (5p → 6s) gives rise to a pair of spin–orbit split iodine states, 2P3/2 and 2P1/2. In the 2PA spectra, the lower-energy 2P3/2 peak is absent and the observed 2PA peak, which is ∼0.14 eV blue-shifted relative to the upper 2P1/2 CTTS peak seen in 1PA, arises from 5p → 6p electronic promotion. The band observed in the ESFG spectrum is attributed to mixing of excited states involving 5p → 6p and 5p → 6s promotions caused by both vibronic coupling and the external electric field generated by asymmetric interfacial solvation.

@article{Greaney_2019, 
 	title={Effects of interfacial ligand type on hybrid P3HT:CdSe quantum dot solar cell device parameters}, 
 	volume={151}, 
 	ISSN={1089-7690}, 
 	url={http://dx.doi.org/10.1063/1.5114932}, 
 	DOI={10.1063/1.5114932}, 
 	number={7}, 
 	journal={The Journal of Chemical Physics}, 
 	publisher={AIP Publishing}, 
 	author={Greaney, Matthew J. and Joy, Jimmy and Combs, Blair A. and Das, Saptaparna and Buckley, Jannise J. and Bradforth, Stephen E. and Brutchey, Richard L.}, 
 	year={2019},
	abstract = {A series of CdSe quantum dot acceptors possessing six different ligand frameworks (i.e., pivalic acid, pyridine, butylamine, tert-butylthiol, thiophenol, and tetrahydrothiophene) were used as platforms for investigating the influence of quantum dot surface chemistry on the performance of hybrid poly(3-hexythiophene-2,5-diyl) (P3HT):CdSe quantum dot bulk heterojunction (BHJ) solar cells. We confirm that the device parameters used to evaluate solar cell performance are significantly influenced by the nature of the quantum dot surface ligand. The dependence of short circuit current density (JSC) on the CdSe ligand type was probed using ultrafast time-resolved photoluminescence (PL) measurements, and good correlations between the ligand-dependent trends in JSC and excited state lifetime were found, in which the P3HT:CdSe quantum dot BHJs with the shortest PL lifetimes possess the largest device current densities. The frontier energy levels of the quantum dot acceptors are significantly influenced by surface ligands, wherein the device open circuit potentials (VOC) were found to linearly correlate with the energy difference (ΔEDA) between the HOMO of the P3HT donor and the electrochemically determined LUMO of the CdSe quantum dot acceptors over a range of 220 mV. This work demonstrates the versatility of quantum dot ligand engineering for tuning the device parameters and performance of hybrid solar cells.},
	bibbase_note = {<img src="https://aipp.silverchair-cdn.com/aipp/content_public/journal/jcp/151/7/10.1063_1.5114932/4/m_074704_1_f7.jpeg?Expires=1715897782&Signature=P2x0VtZ6UWXpKnacUChZ7coME9-MBukoHlnZXAUwOUx8V8Vv7G9xpiNNwe~PnDhWxshT-Ye~L49NAp606AhgdzbfRuaZCIObFAigvV2uo-wkhZ-BVDX24JBJd9JqszWnw1OvViDBh1R9PzcjwIFYKLlR6r2nW~R4il00yQanR999DU44LZO-30dPUMMVDE6VRStIT2BQbHb-bU~UO--N6FqUkd8s6n4nRxzxE-xpEE615xFrvVIDcF4oe7cPxgHQL8Y-ugGqNUgLw549XNOYSQ-kWWcw~8BKB3JFIOifSlYrLeX2X6nEi04xTObEc-mJLs7OwHEC2NBUllFH0Uw0Pw__&Key-Pair-Id=APKAIE5G5CRDK6RD3PGA">}
}

A series of CdSe quantum dot acceptors possessing six different ligand frameworks (i.e., pivalic acid, pyridine, butylamine, tert-butylthiol, thiophenol, and tetrahydrothiophene) were used as platforms for investigating the influence of quantum dot surface chemistry on the performance of hybrid poly(3-hexythiophene-2,5-diyl) (P3HT):CdSe quantum dot bulk heterojunction (BHJ) solar cells. We confirm that the device parameters used to evaluate solar cell performance are significantly influenced by the nature of the quantum dot surface ligand. The dependence of short circuit current density (JSC) on the CdSe ligand type was probed using ultrafast time-resolved photoluminescence (PL) measurements, and good correlations between the ligand-dependent trends in JSC and excited state lifetime were found, in which the P3HT:CdSe quantum dot BHJs with the shortest PL lifetimes possess the largest device current densities. The frontier energy levels of the quantum dot acceptors are significantly influenced by surface ligands, wherein the device open circuit potentials (VOC) were found to linearly correlate with the energy difference (ΔEDA) between the HOMO of the P3HT donor and the electrochemically determined LUMO of the CdSe quantum dot acceptors over a range of 220 mV. This work demonstrates the versatility of quantum dot ligand engineering for tuning the device parameters and performance of hybrid solar cells.

@article{Bhattacharyya_2019,
	doi = {10.1021/acs.jpca.9b04040},
	url = {https://doi.org/10.1021%2Facs.jpca.9b04040},
	year = 2019,
	publisher = {American Chemical Society ({ACS})},
	volume = {123},
	number = {27},
	pages = {5789--5804},
	author = {Dhritiman Bhattacharyya and Yuyuan Zhang and Christopher G. Elles and Stephen E. Bradforth},
	title = {Electronic Structure of Liquid Methanol and Ethanol from Polarization-Dependent Two-Photon Absorption Spectroscopy},
	journal = {The Journal of Physical Chemistry A},
	abstract = {Two-photon absorption (2PA) spectra of liquid methanol and ethanol are reported for the energy range 7–10 eV from the first electronic excitation to close to the liquid-phase ionization potential. The spectra give detailed information on the electronic structures of these alcohols in the bulk liquid. The focus of this Article is to examine the electronic structure change compared with water on substitution of a hydrogen by an alkyl group. Continuous 2PA spectra are recorded in the broadband pump–probe fashion, with a fixed pump pulse in the UV region and a white-light continuum as a probe. Pump pulses of two different energies, 4.6 and 6.2 eV, are used to cover the spectral range up to 10 eV. In addition, theoretical 2PA cross sections for both molecules isolated in the gas phase are computed by the equation-of-motion coupled-cluster method with single and double substitutions (EOM-CCSD). These computational results are used to assign both the experimental 2PA and literature one-photon linear absorption spectra. The most intense spectral features are due to transitions to the Rydberg states, and the 2PA spectra are dominated by the totally symmetric 3pz ← 2pz transition in both alcohols. The experimental 2PA spectra are compared with the simulated 2PA spectra based on ab initio calculations that reveal a general blue shift of the excited transitions upon solvation. The effective 2PA thresholds in methanol and ethanol decrease to 6.9 eV compared with 7.8 eV for water. The analysis of the 2PA polarization ratio leads us to conclude that the excited states of ethanol deviate more markedly from water in the lower energy region compared with methanol. The polarization dependence of the 2PA spectra reveal the symmetries of the excited states within the measured energy range. Natural transition orbital calculations are performed to visualize the nature of the transitions and the orbitals participating during electronic excitation.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpca.9b04040/asset/images/medium/jp-2019-040406_0011.gif">}
}

Two-photon absorption (2PA) spectra of liquid methanol and ethanol are reported for the energy range 7–10 eV from the first electronic excitation to close to the liquid-phase ionization potential. The spectra give detailed information on the electronic structures of these alcohols in the bulk liquid. The focus of this Article is to examine the electronic structure change compared with water on substitution of a hydrogen by an alkyl group. Continuous 2PA spectra are recorded in the broadband pump–probe fashion, with a fixed pump pulse in the UV region and a white-light continuum as a probe. Pump pulses of two different energies, 4.6 and 6.2 eV, are used to cover the spectral range up to 10 eV. In addition, theoretical 2PA cross sections for both molecules isolated in the gas phase are computed by the equation-of-motion coupled-cluster method with single and double substitutions (EOM-CCSD). These computational results are used to assign both the experimental 2PA and literature one-photon linear absorption spectra. The most intense spectral features are due to transitions to the Rydberg states, and the 2PA spectra are dominated by the totally symmetric 3pz ← 2pz transition in both alcohols. The experimental 2PA spectra are compared with the simulated 2PA spectra based on ab initio calculations that reveal a general blue shift of the excited transitions upon solvation. The effective 2PA thresholds in methanol and ethanol decrease to 6.9 eV compared with 7.8 eV for water. The analysis of the 2PA polarization ratio leads us to conclude that the excited states of ethanol deviate more markedly from water in the lower energy region compared with methanol. The polarization dependence of the 2PA spectra reveal the symmetries of the excited states within the measured energy range. Natural transition orbital calculations are performed to visualize the nature of the transitions and the orbitals participating during electronic excitation.

@article{Ashfold_2019,
	doi = {10.1039/c9fd90029b},
	url = {https://doi.org/10.1039%2Fc9fd90029b},
	year = 2019,
	publisher = {Royal Society of Chemistry ({RSC})},
	volume = {216},
	pages = {434--459},
	author = {Michael Ashfold and Jon Bender and David N. Beratan and Stephen Bradforth and Jeffrey Cina and Animesh Datta and Jahan Dawlaty and Ryan Dill and Amro Dodin and Marta Duchi and Laura Estergreen and Graham Fleming and Terry Frankcombe and Gregory Gate and Oliver Gessner and Naomi Ginsberg and Christopher Grieco and Michael Haggmark and Sharon Hammes-Schiffer and Vanessa Huxter and Michael Kellogg and Nadia Korovina and Yumin Lee and Johannes Mahl and Karen Morenz and Jennifer Ogilvie and Thomas A. A. Oliver and Tom Penfold and Petter Persson and Benjamin Schwartz and Minjung Son and Vasilios Stavros and Collin Steen and Mark Thompson and Michael Wasielewski and Emily Weiss and Jack Woolley},
	title = {Photo-induced electron transfer: general discussion},
	journal = {Faraday Discussions}
}

@article{Kellogg_2019,
	doi = {10.1039/c8fd00201k},
	url = {https://doi.org/10.1039%2Fc8fd00201k},
	year = 2019,
	publisher = {Royal Society of Chemistry ({RSC})},
	volume = {216},
	pages = {379--394},
	author = {Michael Kellogg and Ali Akil and Daniel Sylvinson Muthiah Ravinson and Laura Estergreen and Stephen E. Bradforth and Mark E. Thompson},
	title = {Symmetry breaking charge transfer as a means to study electron transfer with no driving force},
	journal = {Faraday Discussions},
	abstract = {Symmetry breaking charge transfer (SBCT) is a process where a symmetrically disposed pair of identical chromophores forms a charge transfer excited state with the hole and electron on different chromophores, i.e. chr–chr + hν → chr+–chr−. Herein we explore this process in two dipyrrin-based bichromophoric systems. One of these bisdipyrrins involved a pair of BODIPY chromophores linked by a single bond at their meso-positions (compound 1) and the other involved two dipyrrin ligands coordinated in a tetrahedral geometry at the Zn2+ ion (compound 2). Both compounds show rapid SBCT in polar solvents and only dipyrrin based emission in nonpolar solvents, the latter arising from a dipyrrin localized excited sate (LE). By “tuning” the solvent polarity the equilibrium between the LE and SBCT states can be shifted to favor either state. Ultrafast transient absorption spectroscopy (TA) was used to probe the kinetics of the charge transfer for 2 in solvents where the electron transfer is endergonic, exergonic and has a ΔG close to zero. Our TA derived rates were used to predict fluorescence efficiencies in each of the different solvent systems and showed a good correspondence to measured values. Detailed density functional theory (DFT) and time dependent DFT were used to model the ground states as well as the LE and SBCT states of 1 and 2, in both polar and nonpolar media. The ground and LE excited states show small dipole moments, while the SBCT states show dipole moments of 16.4 and 20.3 D for 1 and 2, respectively.},
	bibbase_note = {<img src="https://pubs.rsc.org/en/Image/Get?imageInfo.ImageType=GA&imageInfo.ImageIdentifier.ManuscriptID=C8FD00201K&imageInfo.ImageIdentifier.Year=2019">}
}

Symmetry breaking charge transfer (SBCT) is a process where a symmetrically disposed pair of identical chromophores forms a charge transfer excited state with the hole and electron on different chromophores, i.e. chr–chr + hν → chr+–chr−. Herein we explore this process in two dipyrrin-based bichromophoric systems. One of these bisdipyrrins involved a pair of BODIPY chromophores linked by a single bond at their meso-positions (compound 1) and the other involved two dipyrrin ligands coordinated in a tetrahedral geometry at the Zn2+ ion (compound 2). Both compounds show rapid SBCT in polar solvents and only dipyrrin based emission in nonpolar solvents, the latter arising from a dipyrrin localized excited sate (LE). By “tuning” the solvent polarity the equilibrium between the LE and SBCT states can be shifted to favor either state. Ultrafast transient absorption spectroscopy (TA) was used to probe the kinetics of the charge transfer for 2 in solvents where the electron transfer is endergonic, exergonic and has a ΔG close to zero. Our TA derived rates were used to predict fluorescence efficiencies in each of the different solvent systems and showed a good correspondence to measured values. Detailed density functional theory (DFT) and time dependent DFT were used to model the ground states as well as the LE and SBCT states of 1 and 2, in both polar and nonpolar media. The ground and LE excited states show small dipole moments, while the SBCT states show dipole moments of 16.4 and 20.3 D for 1 and 2, respectively.

@article{Korovina_2018,
	doi = {10.1021/jacs.8b04401},
	url = {https://doi.org/10.1021%2Fjacs.8b04401},
	year = 2018,
	publisher = {American Chemical Society ({ACS})},
	volume = {140},
	number = {32},
	pages = {10179--10190},
	author = {Nadezhda V. Korovina and Jimmy Joy and Xintian Feng and Cassidy Feltenberger and Anna I. Krylov and Stephen E. Bradforth and Mark E. Thompson},
	title = {Linker-Dependent Singlet Fission in Tetracene Dimers},
	journal = {Journal of the American Chemical Society},
	abstract = {Separation of triplet excitons produced by singlet fission is crucial for efficient application of singlet fission materials. While earlier works explored the first step of singlet fission, the formation of the correlated triplet pair state, the focus of recent studies has been on understanding the second step of singlet fission, the formation of independent triplets from the correlated pair state. We present the synthesis and excited-state dynamics of meta- and para-bis(ethynyltetracenyl)benzene dimers that are analogues to the ortho-bis(ethynyltetracenyl)benzene dimer reported by our groups previously. A comparison of the excited-state properties of these dimers allows us to investigate the effects of electronic conjugation and coupling on singlet fission between the ethynyltetracene units within a dimer. In the para isomer, in which the two chromophores are conjugated, the singlet exciton yields the correlated triplet pair state, from which the triplet excitons can decouple via molecular rotations. In contrast, the meta isomer in which the two chromophores are cross-coupled predominantly relaxes via radiative decay. We also report the synthesis and excited-state dynamics of two para dimers with different bridging units joining the ethynyltetracenes. The rate of singlet fission is found to be faster in the dimer with the bridging unit that has orbitals closer in energy to that of the ethynyltetracene chromophores.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/jacs.8b04401/asset/images/medium/ja-2018-04401q_0014.gif">}
}

Separation of triplet excitons produced by singlet fission is crucial for efficient application of singlet fission materials. While earlier works explored the first step of singlet fission, the formation of the correlated triplet pair state, the focus of recent studies has been on understanding the second step of singlet fission, the formation of independent triplets from the correlated pair state. We present the synthesis and excited-state dynamics of meta- and para-bis(ethynyltetracenyl)benzene dimers that are analogues to the ortho-bis(ethynyltetracenyl)benzene dimer reported by our groups previously. A comparison of the excited-state properties of these dimers allows us to investigate the effects of electronic conjugation and coupling on singlet fission between the ethynyltetracene units within a dimer. In the para isomer, in which the two chromophores are conjugated, the singlet exciton yields the correlated triplet pair state, from which the triplet excitons can decouple via molecular rotations. In contrast, the meta isomer in which the two chromophores are cross-coupled predominantly relaxes via radiative decay. We also report the synthesis and excited-state dynamics of two para dimers with different bridging units joining the ethynyltetracenes. The rate of singlet fission is found to be faster in the dimer with the bridging unit that has orbitals closer in energy to that of the ethynyltetracene chromophores.

@article{Das_2018,
	doi = {10.1021/acs.jpclett.8b01237},
	url = {https://doi.org/10.1021%2Facs.jpclett.8b01237},
	year = 2018,
	publisher = {American Chemical Society ({ACS})},
	volume = {9},
	number = {12},
	pages = {3264--3270},
	author = {Saptaparna Das and William G. Thornbury and Andrew N. Bartynski and Mark E. Thompson and Stephen E. Bradforth},
	title = {Manipulating Triplet Yield through Control of Symmetry-Breaking Charge Transfer},
	journal = {The Journal of Physical Chemistry Letters},
	abstract = {The efficiency of an organic solar cell depends on the efficacy of exciton diffusion and dissociation processes, and this can be enhanced by reducing the exciton binding energy and increasing the exciton lifetime. Zinc chlorodipyrrin (ZCl) complexes exhibit reduced exciton binding energy due to ultrafast generation of intramolecular charge transfer (ICT) states via symmetry-breaking charge transfer in polar media. This Letter explores the fate of the ICT states using nanosecond transient absorption. In cyclohexane, ZCl undergoes intersystem crossing to produce triplets with ∼8 ns time constant (∼30% yield), and no ICT states are generated. However, in more polar solvents, triplets are generated within 1 ns via ICT state recombination with ∼3 times higher yield than produced via ISC. This high triplet yield in toluene (89%) and acetonitrile (76%) via ICT state recombination is a beneficial pathway to spin-protect the excited-state decay for additional charge generation from triplet excited states.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpclett.8b01237/asset/images/medium/jz-2018-01237h_0007.gif">}
}

The efficiency of an organic solar cell depends on the efficacy of exciton diffusion and dissociation processes, and this can be enhanced by reducing the exciton binding energy and increasing the exciton lifetime. Zinc chlorodipyrrin (ZCl) complexes exhibit reduced exciton binding energy due to ultrafast generation of intramolecular charge transfer (ICT) states via symmetry-breaking charge transfer in polar media. This Letter explores the fate of the ICT states using nanosecond transient absorption. In cyclohexane, ZCl undergoes intersystem crossing to produce triplets with ∼8 ns time constant (∼30% yield), and no ICT states are generated. However, in more polar solvents, triplets are generated within 1 ns via ICT state recombination with ∼3 times higher yield than produced via ISC. This high triplet yield in toluene (89%) and acetonitrile (76%) via ICT state recombination is a beneficial pathway to spin-protect the excited-state decay for additional charge generation from triplet excited states.

@article{Roy_2018,
	doi = {10.1021/acs.jpcb.7b11762},
	url = {https://doi.org/10.1021%2Facs.jpcb.7b11762},
	year = 2018,
	publisher = {American Chemical Society ({ACS})},
	volume = {122},
	number = {14},
	pages = {3723--3733},
	author = {Anirban Roy and Robert Seidel and Gaurav Kumar and Stephen E. Bradforth},
	title = {Exploring Redox Properties of Aromatic Amino Acids in Water: Contrasting Single Photon vs Resonant Multiphoton Ionization in Aqueous Solutions},
	journal = {The Journal of Physical Chemistry B},
	abstract = {Direct measurements of the valence ionization energies and the reorganization energies of the three aromatic amino acids, l-tyrosine, l-tryptophan, and l-phenylalanine, in aqueous solution using the liquid microjet technique and two different photoemission methods—X-ray photoelectron spectroscopy (XPS) at 175 eV photon energy and resonant two-photon ionization (R2PI) using 2 × 267 nm (2 × 4.64 eV) UV laser light—are reported. l-Tryptophan has the lowest vertical ionization energy, 7.3 eV, followed by tyrosine (7.8 eV) and phenylalanine (∼8.7 eV). Essentially, no variation in recovered orbital energies is observed comparing near threshold ionization to X-ray ionization. Superior sensitivity of the (background-free) R2PI scheme for solutions with very low solute concentration (<2 mM) is demonstrated in contrast to the single-photon XPS measurements, which often requires solute concentrations of 0.1–1 molar. This higher sensitivity along with chemical selectivity of the R2PI technique can be exploited for both spectroscopic assignment and as an analytical tool. The nature of the adiabatic ionization energy for the three aromatic amino acids has been explored by the R2PI approach and by empirically formulating the correlation between the estimated ionization onset with electronic and nuclear relaxation on the excited state surface. Our results have implications for understanding one-electron transfer within enzymes and in redox situations where (ir)reversible deprotonation occurs such as those manifest in the biochemistry of oxidation damage.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpcb.7b11762/asset/images/medium/jp-2017-11762c_0007.gif">}
}

Direct measurements of the valence ionization energies and the reorganization energies of the three aromatic amino acids, l-tyrosine, l-tryptophan, and l-phenylalanine, in aqueous solution using the liquid microjet technique and two different photoemission methods—X-ray photoelectron spectroscopy (XPS) at 175 eV photon energy and resonant two-photon ionization (R2PI) using 2 × 267 nm (2 × 4.64 eV) UV laser light—are reported. l-Tryptophan has the lowest vertical ionization energy, 7.3 eV, followed by tyrosine (7.8 eV) and phenylalanine (∼8.7 eV). Essentially, no variation in recovered orbital energies is observed comparing near threshold ionization to X-ray ionization. Superior sensitivity of the (background-free) R2PI scheme for solutions with very low solute concentration (<2 mM) is demonstrated in contrast to the single-photon XPS measurements, which often requires solute concentrations of 0.1–1 molar. This higher sensitivity along with chemical selectivity of the R2PI technique can be exploited for both spectroscopic assignment and as an analytical tool. The nature of the adiabatic ionization energy for the three aromatic amino acids has been explored by the R2PI approach and by empirically formulating the correlation between the estimated ionization onset with electronic and nuclear relaxation on the excited state surface. Our results have implications for understanding one-electron transfer within enzymes and in redox situations where (ir)reversible deprotonation occurs such as those manifest in the biochemistry of oxidation damage.

@article{Golden_2018,
	doi = {10.1021/acsaem.7b00214},
	url = {https://doi.org/10.1021%2Facsaem.7b00214},
	year = 2018,
	publisher = {American Chemical Society ({ACS})},
	volume = {1},
	number = {3},
	pages = {1083--1095},
	author = {Jessica H. Golden and Laura Estergreen and Tyler Porter and Abegail C. Tadle and Daniel Sylvinson M. R. and John W. Facendola and Clifford P. Kubiak and Stephen E. Bradforth and Mark E. Thompson},
	title = {Symmetry-Breaking Charge Transfer in Boron Dipyridylmethene ({DIPYR}) Dimers},
	journal = {{ACS} Applied Energy Materials},
	abstract = {We recently reported the photophysical properties of boron dipyridylmethene (DIPYR) dyes, a class of intensely fluorescent pyridine-based chromophores, which are structural analogues of both acenes and BODIPYs. In this work, we endeavored to explore the properties of DIPYR dimers. The synthesis and characterization of two novel homoleptic meso-linked dimers of boron dipyridylmethene dyes, bis-DIPYR and bis-α-DIPYR, are herein reported. Their structural, electrochemical, and photophysical properties have been probed using both steady-state and time-resolved techniques including femtosecond and nanosecond transient absorption spectroscopies. Of particular focus are the excited-state photophysical dynamics of the dimers, which are studied in several solvents of varying polarity, from methylcyclohexane to acetonitrile. It was found that both dimers undergo symmetry-breaking charge transfer within 3 ps of photoexcitation, forming a radical anion and radical cation, which were observed using transient absorption and confirmed by spectroelectrochemical characterization. Further, it was found that the emitting species is the symmetry-broken state, which is stable for several nanoseconds before radiative recombination to the ground state occurs. The efficiency and rapidity of symmetry breaking, even in nonpolar media, is highly promising for application of these materials to optoelectronic technologies requiring charge transfer from an excitonic state.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acsaem.7b00214/asset/images/medium/ae-2017-00214m_0012.gif">}
}

We recently reported the photophysical properties of boron dipyridylmethene (DIPYR) dyes, a class of intensely fluorescent pyridine-based chromophores, which are structural analogues of both acenes and BODIPYs. In this work, we endeavored to explore the properties of DIPYR dimers. The synthesis and characterization of two novel homoleptic meso-linked dimers of boron dipyridylmethene dyes, bis-DIPYR and bis-α-DIPYR, are herein reported. Their structural, electrochemical, and photophysical properties have been probed using both steady-state and time-resolved techniques including femtosecond and nanosecond transient absorption spectroscopies. Of particular focus are the excited-state photophysical dynamics of the dimers, which are studied in several solvents of varying polarity, from methylcyclohexane to acetonitrile. It was found that both dimers undergo symmetry-breaking charge transfer within 3 ps of photoexcitation, forming a radical anion and radical cation, which were observed using transient absorption and confirmed by spectroelectrochemical characterization. Further, it was found that the emitting species is the symmetry-broken state, which is stable for several nanoseconds before radiative recombination to the ground state occurs. The efficiency and rapidity of symmetry breaking, even in nonpolar media, is highly promising for application of these materials to optoelectronic technologies requiring charge transfer from an excitonic state.

@article{Kumar_2018,
	doi = {10.1039/c8fd00123e},
	url = {https://doi.org/10.1039%2Fc8fd00123e},
	year = 2018,
	publisher = {Royal Society of Chemistry ({RSC})},
	volume = {212},
	pages = {359--381},
	author = {Gaurav Kumar and Anirban Roy and Ryan S. McMullen and Shanmukh Kutagulla and Stephen E. Bradforth},
	title = {The influence of aqueous solvent on the electronic structure and non-adiabatic dynamics of indole explored by liquid-jet photoelectron spectroscopy},
	journal = {Faraday Discussions},
	abstract = {Understanding how the electronic structure of an aqueous solute is intricately bound up with the arrangement of a host liquid provides insight into how non-adiabatic photochemistry takes place in the condensed phase. For example, the presence of water provides additional solute–solvent interactions compared to non-polar solvents: changing the stability of ionized products and modifying the energies of low-lying excited valence states, as well as moving the point of intersection between potential surfaces. Thus, the locations and topography of conical intersections between these surfaces also change. The overall impact of the aqueous environment can be to modify the intricate photochemical and non-radiative pathways taking place after photoexcitation. Time-resolved photoelectron spectroscopy (TRPES) in a liquid micro-jet is implemented here to investigate the influence of water on the electronic structure and dynamics of indole, the chromophore of the amino acid tryptophan. TRPES is used to establish ultrafast relaxation pathways that vary as a function of excitation wavelength. In our experiment, aqueous indole was excited with femtosecond pulses centered at 292 nm and 266 nm. The vertical excitation energy of aqueous indole is extracted and found to be lowered by 0.5 eV in water relative to the gas phase. In the TRPES study, the spectral signature of 1La and evidence of solvated electron formation on an ultrafast timescale are observed. Our data also points to a possible contribution of the dissociative πσ* state, which can be accessed by a conical intersection (CI) with the 1La state.},
	bibbase_note = {<img src="https://pubs.rsc.org/en/Image/Get?imageInfo.ImageType=GA&imageInfo.ImageIdentifier.ManuscriptID=C8FD00123E&imageInfo.ImageIdentifier.Year=2018">}
}

Understanding how the electronic structure of an aqueous solute is intricately bound up with the arrangement of a host liquid provides insight into how non-adiabatic photochemistry takes place in the condensed phase. For example, the presence of water provides additional solute–solvent interactions compared to non-polar solvents: changing the stability of ionized products and modifying the energies of low-lying excited valence states, as well as moving the point of intersection between potential surfaces. Thus, the locations and topography of conical intersections between these surfaces also change. The overall impact of the aqueous environment can be to modify the intricate photochemical and non-radiative pathways taking place after photoexcitation. Time-resolved photoelectron spectroscopy (TRPES) in a liquid micro-jet is implemented here to investigate the influence of water on the electronic structure and dynamics of indole, the chromophore of the amino acid tryptophan. TRPES is used to establish ultrafast relaxation pathways that vary as a function of excitation wavelength. In our experiment, aqueous indole was excited with femtosecond pulses centered at 292 nm and 266 nm. The vertical excitation energy of aqueous indole is extracted and found to be lowered by 0.5 eV in water relative to the gas phase. In the TRPES study, the spectral signature of 1La and evidence of solvated electron formation on an ultrafast timescale are observed. Our data also points to a possible contribution of the dissociative πσ* state, which can be accessed by a conical intersection (CI) with the 1La state.

@article{McAnally_2017,
	doi = {10.1021/acs.jpclett.7b02718},
	url = {https://doi.org/10.1021%2Facs.jpclett.7b02718},
	year = 2017,
	publisher = {American Chemical Society ({ACS})},
	volume = {8},
	number = {24},
	pages = {5993--6001},
	author = {R. Eric McAnally and Jon A. Bender and Laura Estergreen and Ralf Haiges and Stephen E. Bradforth and Jahan M. Dawlaty and Sean T. Roberts and Aaron S. Rury},
	title = {Defects Cause Subgap Luminescence from a Crystalline Tetracene Derivative},
	journal = {The Journal of Physical Chemistry Letters},
	abstract = {We use steady-state and ultrafast nonlinear spectroscopies in combination with density functional theory calculations to explain light emission below the optical gap energy (Eo) of crystalline samples of 5,12-diphenyl tetracene (DPT). In particular, the properties of vibrational coherences imprinted on a probe pulse transmitted through a DPT single crystal indicate discrete electronic transitions below Eo of this organic semiconductor. Analysis of coherence spectra leads us to propose structural defect states give rise to these discrete transitions and subgap light emission. We use the polarization dependence of vibrational coherence spectra to tentatively assign these defects in our DPT samples. Our results provide fundamental insights into the properties of midgap states in organic materials important for their application in next-generation photonics and optoelectronics technologies.},
	bibbase_note = {<img src="https://pubs.acs.org/cms/10.1021/acs.jpclett.7b02718/asset/images/medium/jz-2017-02718m_0007.gif">}
}

We use steady-state and ultrafast nonlinear spectroscopies in combination with density functional theory calculations to explain light emission below the optical gap energy (Eo) of crystalline samples of 5,12-diphenyl tetracene (DPT). In particular, the properties of vibrational coherences imprinted on a probe pulse transmitted through a DPT single crystal indicate discrete electronic transitions below Eo of this organic semiconductor. Analysis of coherence spectra leads us to propose structural defect states give rise to these discrete transitions and subgap light emission. We use the polarization dependence of vibrational coherence spectra to tentatively assign these defects in our DPT samples. Our results provide fundamental insights into the properties of midgap states in organic materials important for their application in next-generation photonics and optoelectronics technologies.

@article{RID:102315012827-158,
	title = {Controlling the Trap State Landscape of Colloidal CdSe Nanocrystals with Cadmium Halide Ligands},
	journal = {Chemistry of Materials},
	year = {2015},
	author = {Greaney, Matthew J. and  Couderc, Elsa and  Zhao, Jing and  Nail, Benjamin A. and  Mecklenburg, Matthew and  Thornbury, William and  Osterloh, Frank E. and  Bradforth, Stephen E. and  Brutchey, Richard L.},
	volume = {27},
	number = {3},
	pages = {744-756}
}

@article{RID:102315012828-161,
	title = {Deconvoluting contributions of photoexcited species in polymer-quantum dot hybrid photovoltaic materials},
	journal = {Journal of Photonics For Energy},
	year = {2015},
	author = {Couderc, Elsa and  Greaney, Matthew J. and  Thornbury, William and  Brutchey, Richard L. and  Bradforth, Stephen E.},
	volume = {5}
}

@misc{RID:102315012828-162,
	title = {Evidence of Energy Transfer in Nanoparticle-Porphyrins Conjugates for Radiation Therapy Enhancement},
	chapter = {},
	pages = {},
	publisher = {},
	year = {2015},
	author = {Kudinov, Konstantin and  Cooper, Daniel and  Tyagi, Pooja and  Bekah, Devesh and  Bhattacharyya, Dhritiman and  Hill, Colin and  Ha, Jonathan Kin and  Nadeau, Jay and  Bradforth, Stephen and  Parak, WJ and  Osinski, M and  Liang, XJ},
	editor = {},
	booktitle = {Colloidal Nanoparticles For Biomedical Applications X},
	volume = {9338}
}

@article{RID:102315012828-156,
	title = {Improve undergraduate science education},
	journal = {Nature},
	year = {2015},
	author = {Bradforth, Stephen E. and  Miller, Emily R. and  Dichtel, William R. and  Leibovich, Adam K. and  Feig, Andrew L. and  Martin, James D. and  Bjorkman, Karen S. and  Schultz, Zachary D. and  Smith, Tobin L.},
	volume = {523},
	number = {7560},
	pages = {282-284}
}

@article{RID:102315012828-160,
	title = {Nuclear uptake of ultrasmall gold-doxorubicin conjugates imaged by fluorescence lifetime imaging microscopy (FLIM) and electron microscopy},
	journal = {Nanoscale},
	year = {2015},
	author = {Zhang, Xuan and  Shastry, Sathvik and  Bradforth, Stephen E. and  Nadeau, Jay L.},
	volume = {7},
	number = {1},
	pages = {240-251}
}

@article{RID:102315012828-159,
	title = {Oxidation Half-Reaction of Aqueous Nucleosides and Nucleotides via Photoelectron Spectroscopy Augmented by ab Initio Calculations},
	journal = {Journal of the American Chemical Society},
	year = {2015},
	author = {Schroeder, Christi A. and  Pluharova, Eva and  Seidel, Robert and  Schroeder, William P. and  Faubel, Manfred and  Slavicek, Petr and  Winter, Bernd and  Jungwirth, Pavel and  Bradforth, Stephen E.},
	volume = {137},
	number = {1},
	pages = {201-209}
}

@article{RID:102315012829-157,
	title = {Symmetry-Breaking Charge Transfer in a Zinc Chlorodipyrrin Acceptor for High Open Circuit Voltage Organic Photovoltaics},
	journal = {Journal of the American Chemical Society},
	year = {2015},
	author = {Bartynski, Andrew N. and  Gruber, Mark and  Das, Saptaparna and  Rangan, Sylvie and  Mollinger, Sonya and  Trinh, Cong and  Bradforth, Stephen E. and  Vandewal, Koen and  Salleo, Alberto and  Bartynski, Robert A. and  Bruetting, Wolfgang and  Thompson, Mark E.},
	volume = {137},
	number = {16},
	pages = {5397-5405}
}

@misc{RID:102315012829-168,
	title = {COD ID: 1517738},
	author = {Trinh, Cong and  Kirlikovali, Kent and  Das, Saptaparna and  Ener, Maraia E and  Gray, Harry B and  Djurovich, Peter and  Bradforth, Stephen E and  Thompson, Mark E},
	month = {2015-03-13},
	year = {2014}
}

@article{RID:102315012829-166,
	title = {Chalcogenol Ligand Toolbox for CdSe Nanocrystals and Their Influence on Exciton Relaxation Pathways},
	journal = {Acs Nano},
	year = {2014},
	author = {Buckley, Jannise J. and  Couderc, Elsa and  Greaney, Matthew J. and  Munteanu, James and  Riche, Carson T. and  Bradforth, Stephen E. and  Brutchey, Richard L.},
	volume = {8},
	number = {3},
	pages = {2512-2521}
}

@article{RID:102315012829-164,
	title = {Photoluminescence of cerium fluoride and cerium-doped lanthanum fluoride nanoparticles and investigation of energy transfer to photosensitizer molecules},
	journal = {Physical Chemistry Chemical Physics},
	year = {2014},
	author = {Cooper, Daniel R. and  Kudinov, Konstantin and  Tyagi, Pooja and  Hill, Colin K. and  Bradforth, Stephen E. and  Nadeau, Jay L.},
	volume = {16},
	number = {24},
	pages = {12441-12453}
}

@article{RID:102315012829-165,
	title = {Quantifying Charge Recombination in Solar Cells Based on Donor - Acceptor P3HT Analogues},
	journal = {Journal of Physical Chemistry C},
	year = {2014},
	author = {Das, Saptaparna and  Khlyabich, Petr P. and  Burkhart, Beate and  Roberts, Sean T. and  Couderc, Elsa and  Thompson, Barry C. and  Bradforth, Stephen E.},
	volume = {118},
	number = {13},
	pages = {6650-6660}
}

@article{RID:102315012829-163,
	title = {Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins},
	journal = {Journal of Physical Chemistry C},
	year = {2014},
	author = {Trinh, Cong and  Kirlikovali, Kent and  Das, Saptaparna and  Ener, Maraia E. and  Gray, Harry B. and  Djurovich, Peter and  Bradforth, Stephen E. and  Thompson, Mark E.},
	volume = {118},
	number = {38},
	pages = {21834-21845}
}

@article{RID:102315012829-167,
	title = {Ultrafast electron transfer from low band gap conjugated polymer to quantum dots in hybrid photovoltaic materials},
	journal = {Physical Chemistry of Interfaces and Nanomaterials Xiii},
	year = {2014},
	author = {Couderc, Elsa and  Greaney, Matthew J. and  Thornbury, William and  Brutchey, Richard L. and  Bradforth, Stephen E. and  Banerji, N and  Hayes, SC and  Silva, C},
	volume = {9165}
}

@article{RID:102315012830-148,
	title = {Aqueous Colloidal Acene Nanoparticles: A New Platform for Studying Singlet Fission},
	journal = {Journal of Physical Chemistry B},
	year = {2013},
	author = {Mastron, Joseph N. and  Roberts, Sean T. and  McAnally, R. Eric and  Thompson, Mark E. and  Bradforth, Stephen E.},
	volume = {117},
	number = {49},
	pages = {15519-15526}
}

@article{RID:102315012830-85,
	title = {Comparing molecular photofragmentation dynamics in the gas and liquid phases},
	journal = {Physical Chemistry Chemical Physics},
	year = {2013},
	author = {Harris, Stephanie J. and  Murdock, Daniel and  Zhang, Yuyuan and  Oliver, Thomas A. A. and  Grubb, Michael P. and  Orr-Ewing, Andrew J. and  Greetham, Gregory M. and  Clark, Ian P. and  Towrie, Michael and  Bradforth, Stephen E. and  Ashfold, Michael N. R.},
	volume = {15},
	number = {18},
	pages = {6567-6582}
}

@article{RID:102315012830-86,
	title = {Differential effects of beta-mercaptoethanol on CdSe/ZnS and InP/ZnS quantum dots},
	journal = {Physical Chemistry Chemical Physics},
	year = {2013},
	author = {Georgin, Marcel and  Carlini, Lina and  Cooper, Daniel and  Bradforth, Stephen E. and  Nadeau, Jay L.},
	volume = {15},
	number = {25},
	pages = {10418-10428}
}

@article{RID:102315012830-149,
	title = {Direct Spectroscopic Evidence of Ultrafast Electron Transfer from a Low Band Gap Polymer to CdSe Quantum Dots in Hybrid Photovoltaic Thin Films},
	journal = {Journal of the American Chemical Society},
	year = {2013},
	author = {Couderc, Elsa and  Greaney, Matthew J. and  Brutchey, Richard L. and  Bradforth, Stephen E.},
	volume = {135},
	number = {49},
	pages = {18418-18426}
}

@article{RID:102315012830-83,
	title = {Emission of Macrocyclic and Linear Poly(2-vinylnaphthalene): Observation of Two Excimer Populations in Macrocycles},
	journal = {Journal of Physical Chemistry C},
	year = {2013},
	author = {Nossarev, Gennadi G. and  Johnson, Jerainne and  Bradforth, Stephen E. and  Hogen-Esch, Thieo E.},
	volume = {117},
	number = {20},
	pages = {10244-10256}
}

@article{RID:102315012830-150,
	title = {Exploring the Energy Disposal Immediately After Bond-Breaking in Solution: The Wavelength-Dependent Excited State Dissociation Pathways of para-Methylthiophenol},
	journal = {Journal of Physical Chemistry a},
	year = {2013},
	author = {Zhang, Yuyuan and  Oliver, Thomas A. A. and  Das, Saptaparna and  Roy, Anirban and  Ashfold, Michael N. R. and  Bradforth, Stephen E.},
	volume = {117},
	number = {46},
	pages = {12125-12137}
}

@article{RID:102315012831-84,
	title = {Fused Porphyrin-Single-Walled Carbon Nanotube Hybrids: Efficient Formation and Photophysical Characterization},
	journal = {Acs Nano},
	year = {2013},
	author = {Zhong, Qiwen and  Diev, Vyacheslav V. and  Roberts, Sean T. and  Antunez, Priscilla D. and  Brutchey, Richard L. and  Bradforth, Stephen E. and  Thompson, Mark E.},
	volume = {7},
	number = {4},
	pages = {3466-3475}
}

@article{RID:102315012831-154,
	title = {Hybridization and charge transfer of aqueous Ti3+ in ground and excited state},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2013},
	author = {Seidel, Robert and  Roy, Anirban and  Bradforth, Stephen E.},
	volume = {246}
}

@article{RID:102315012831-82,
	title = {On the nature and origin of dicationic, charge-separated species formed in liquid water on X-ray irradiation},
	journal = {Nature Chemistry},
	year = {2013},
	author = {Thuermer, Stephan and  Oncak, Milan and  Ottosson, Niklas and  Seidel, Robert and  Hergenhahn, Uwe and  Bradforth, Stephen E. and  Slavicek, Petr and  Winter, Bernd},
	volume = {5},
	number = {7},
	pages = {590-596}
}

@article{RID:102315012831-153,
	title = {Photoelectron Angular Distributions from Liquid Water: Effects of Electron Scattering},
	journal = {Physical Review Letters},
	year = {2013},
	author = {Thuermer, Stephan and  Seidel, Robert and  Faubel, Manfred and  Eberhardt, Wolfgang and  Hemminger, John C. and  Bradforth, Stephen E. and  Winter, Bernd},
	volume = {111},
	number = {17}
}

@article{RID:102315012831-155,
	title = {Photon quenching in InGaN quantum well light emitting devices},
	journal = {Applied Physics Letters},
	year = {2013},
	author = {Sarkissian, Raymond and  Roberts, Sean T. and  Yeh, Ting-Wei and  Das, Saptaparna and  Bradforth, Stephen E. and  O'Brien, John and  Dapkus, P. Daniel},
	volume = {103},
	number = {4}
}

@article{RID:102315012831-151,
	title = {Tribute to Curt Wittig},
	journal = {Journal of Physical Chemistry a},
	year = {2013},
	author = {Reisler, Hanna and  Bradforth, Stephen and  Zhang, Jingsong},
	volume = {117},
	number = {46},
	pages = {11605-11617}
}

@article{RID:102315012832-152,
	title = {Unexpectedly Small Effect of the DNA Environment on Vertical Ionization Energies of Aqueous Nucleobases},
	journal = {Journal of Physical Chemistry Letters},
	year = {2013},
	author = {Pluharova, Eva and  Schroeder, Christi and  Seidel, Robert and  Bradforth, Stephen E. and  Winter, Bernd and  Faubel, Manfred and  Slavicek, Petr and  Jungwirth, Pavel},
	volume = {4},
	number = {21},
	pages = {3766-3769}
}

@article{RID:102315012832-93,
	title = {Contrasting the excited state reaction pathways of phenol and para-methylthiophenol in the gas and liquid phases},
	journal = {Faraday Discussions},
	year = {2012},
	author = {Zhang, Yuyuan and  Oliver, Thomas A. A. and  Ashfold, Michael N. R. and  Bradforth, Stephen E.},
	volume = {157},
	pages = {141-163}
}

@article{RID:102315012832-91,
	title = {Effects of beta-Mercaptoethanol on Quantum Dot Emission Evaluated from Photoluminescence Decays},
	journal = {Journal of Physical Chemistry C},
	year = {2012},
	author = {Nadeau, Jay L. and  Carlini, Lina and  Suffern, Diana and  Ivanova, Olga and  Bradforth, Stephen E.},
	volume = {116},
	number = {4},
	pages = {2728-2739}
}

@article{RID:102315012832-90,
	title = {Efficient Singlet Fission Discovered in a Disordered Acene Film},
	journal = {Journal of the American Chemical Society},
	year = {2012},
	author = {Roberts, Sean T. and  McAnally, R. Eric and  Mastron, Joseph N. and  Webber, David H. and  Whited, Matthew T. and  Brutchey, Richard L. and  Thompson, Mark E. and  Bradforth, Stephen E.},
	volume = {134},
	number = {14},
	pages = {6388-6400}
}

@article{RID:102315012832-88,
	title = {First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate},
	journal = {Journal of Physical Chemistry B},
	year = {2012},
	author = {Ghosh, Debashree and  Roy, Anirban and  Seidel, Robert and  Winter, Bernd and  Bradforth, Stephen and  Krylov, Anna I.},
	volume = {116},
	number = {24},
	pages = {7269-7280}
}

@article{RID:102315012832-89,
	title = {Improving Open Circuit Potential in Hybrid P3HT:CdSe Bulk Heterojunction Solar Cells via Colloidal tert-Butylthiol Ligand Exchange},
	journal = {Acs Nano},
	year = {2012},
	author = {Greaney, Matthew J. and  Das, Saptaparna and  Webber, David H. and  Bradforth, Stephen E. and  Brutchey, Richard L.},
	volume = {6},
	number = {5},
	pages = {4222-4230}
}

@article{RID:102315012832-92,
	title = {Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads},
	journal = {Chemical Communications},
	year = {2012},
	author = {Whited, Matthew T. and  Patel, Niral M. and  Roberts, Sean T. and  Allen, Kathryn and  Djurovich, Peter I. and  Bradforth, Stephen E. and  Thompson, Mark E.},
	volume = {48},
	number = {2},
	pages = {284-286}
}

@article{RID:102315012833-87,
	title = {Transforming Anion Instability into Stability: Contrasting Photoionization of Three Protonation Forms of the Phosphate Ion upon Moving into Water},
	journal = {Journal of Physical Chemistry B},
	year = {2012},
	author = {Pluharova, Eva and  Oncak, Milan and  Seidel, Robert and  Schroeder, Christi and  Schroeder, William and  Winter, Bernd and  Bradforth, Stephen E. and  Jungwirth, Pavel and  Slavicek, Petr},
	volume = {116},
	number = {44},
	pages = {13254-13264}
}

@article{RID:102315012833-102,
	title = {Broadband Spectral Probing Revealing Ultrafast Photochemical Branching after Ultraviolet Excitation of the Aqueous Phenolate Anion},
	journal = {Journal of Physical Chemistry a},
	year = {2011},
	author = {Chen, Xiyi and  Larsen, Delmar S. and  Bradforth, Stephen E. and  van Stokkum, Ivo H. M.},
	volume = {115},
	number = {16},
	pages = {3807-3819}
}

@article{RID:102315012833-94,
	title = {Chasing charge localization and chemical reactivity following photoionization in liquid water},
	journal = {Journal of Chemical Physics},
	year = {2011},
	author = {Marsalek, Ondrej and  Elles, Christopher G. and  Pieniazek, Piotr A. and  Pluharova, Eva and  VandeVondele, Joost and  Bradforth, Stephen E. and  Jungwirth, Pavel},
	volume = {135},
	number = {22}
}

@article{RID:102315012833-100,
	title = {Competing photoionization and photodissociation process in small heteroaromatic systems},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2011},
	author = {Zhang, Yuyuan and  Oliver, Thomas and  Ashfold, Michael and  Bradforth, Stephen},
	volume = {242}
}

@article{RID:102315012833-97,
	title = {Exciton management in organic photovoltaic devices},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2011},
	author = {Thompson, Mark and  Whited, Matthew and  Roberts, Sean and  MaAnally, Robert and  Bradforth, Stephen},
	volume = {242}
}

@article{RID:102315012833-104,
	title = {Fused porphyrin-SWNT supramolecular assembly for photoinduced electron transfer process},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2011},
	author = {Zhong, Qiwen and  Diev, Viacheslav and  Roberts, Sean and  Bradforth, Stephen E. and  Thompson, Mark E.},
	volume = {241}
}

@article{RID:102315012834-103,
	title = {Global analysis of transient absorption spectra of a triplet sensitized organic photovoltaic},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2011},
	author = {Mastron, Joseph N. and  Roberts, Sean T. and  Schlenker, Cody W. and  Barlier, Vincent and  McAnally, R. Eric and  Zhang, Yuyuan and  Thompson, Mark E. and  Bradforth, Stephen E.},
	volume = {241}
}

@article{RID:102315012834-106,
	title = {Ionization of Purine Tautomers in Nucleobases, Nucleosides, and Nucleotides: From the Gas Phase to the Aqueous Environment},
	journal = {Journal of Physical Chemistry B},
	year = {2011},
	author = {Pluharova, Eva and  Jungwirth, Pavel and  Bradforth, Stephen E. and  Slavicek, Petr},
	volume = {115},
	number = {5},
	pages = {1294-1305}
}

@article{RID:102315012834-96,
	title = {Linking photochemistry in the gas and solution phase: S-H bond fission following UV excitation of thiophenols},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2011},
	author = {Ashfold, Michael N. R. and  Oliver, Thomas A. A. and  Zhang, Yuyuan and  Bradforth, Stephen E.},
	volume = {242}
}

@article{RID:102315012834-109,
	title = {Linking photochemistry in the gas and solution phase: S-H bond fission in p-methylthiophenol following UV photoexcitation},
	journal = {Faraday Discussions},
	year = {2011},
	author = {Oliver, Thomas A. A. and  Zhang, Yuyuan and  Ashfold, Michael N. R. and  Bradforth, Stephen E.},
	volume = {150},
	pages = {439-458}
}

@article{RID:102315012834-107,
	title = {Observation of Triplet Excito Formation in a Platinum-Sensitized Organic Photovoltaic Device},
	journal = {Journal of Physical Chemistry Letters},
	year = {2011},
	author = {Roberts, Sean T. and  Schlenker, Cody W. and  Barlier, Vincent and  McAnally, R. Eric and  Zhang, Yuyuan and  Mastron, Joseph N. and  Thompson, Mark E. and  Bradforth, Stephen E.},
	volume = {2},
	number = {2},
	pages = {48-54}
}

@article{RID:102315012834-108,
	title = {Singlet and Triplet Excitation Management in a Bichromophoric Near-Infrared-Phosphorescent BODIPY-Benzoporphyrin Platinum Complex},
	journal = {Journal of the American Chemical Society},
	year = {2011},
	author = {Whited, Matthew T. and  Djurovich, Peter I. and  Roberts, Sean T. and  Durrell, Alec C. and  Schlenker, Cody W. and  Bradforth, Stephen E. and  Thompson, Mark E.},
	volume = {133},
	number = {1},
	pages = {88-96}
}

@article{RID:102315012835-110,
	title = {The dynamical role of solvent on the ICN photodissociation reaction: connecting experimental observables directly with molecular dynamics simulations},
	journal = {Physical Chemistry Chemical Physics},
	year = {2011},
	author = {Rivera, Christopher A. and  Winter, Nicolas and  Harper, Rachael V. and  Benjamin, Ilan and  Bradforth, Stephen E.},
	volume = {13},
	number = {18},
	pages = {8269-8283}
}

@article{RID:102315012835-105,
	title = {Tracking State-to-State Bimolecular Reaction Dynamics in Solution},
	journal = {Science},
	year = {2011},
	author = {Bradforth, Stephen},
	volume = {331},
	number = {6023},
	pages = {1398-1399}
}

@article{RID:102315012835-101,
	title = {Ultrafast Hybridization Screening in Fe3+ Aqueous Solution},
	journal = {Journal of the American Chemical Society},
	year = {2011},
	author = {Thuermer, Stephan and  Seidel, Robert and  Eberhardt, Wolfgang and  Bradforth, Stephen E. and  Winter, Bernd},
	volume = {133},
	number = {32},
	pages = {12528-12535}
}

@article{RID:102315012835-99,
	title = {Ultrafast dynamics following excitation in water: Electrons, cationic holes, and DNA damage},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2011},
	author = {Marsalek, Ondrej and  Uhlig, Frank and  VandeVondele, Joost and  Bradforth, Stephen E. and  Jungwirth, Pavel},
	volume = {242}
}

@article{RID:102315012835-95,
	title = {Wavelength dependence of ultraviolet radiation-induced DNA damage as determined by laser irradiation suggests that cyclobutane pyrimidine dimers are the principal DNA lesions produced by terrestrial sunlight},
	journal = {Faseb Journal},
	year = {2011},
	author = {Besaratinia, Ahmad and  Yoon, Jae-in and  Schroeder, Christi and  Bradforth, Stephen E. and  Cockburn, Myles and  Pfeifer, Gerd P.},
	volume = {25},
	number = {9},
	pages = {3079-3091}
}

@article{RID:102315012835-98,
	title = {Working towards the development of singlet fission based organic photovoltaics},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2011},
	author = {Roberts, Sean T. and  McAnally, R. Eric and  Mastron, Joseph N. and  Thompson, Mark E. and  Bradforth, Stephen E.},
	volume = {242}
}

@article{RID:1021152309307-111,
	title = {Gires-Tournois interferometer type negative dispersion mirrors for deep ultraviolet pulse compression},
	journal = {Optics Express},
	year = {2010},
	author = {Rivera, Christopher A. and  Bradforth, Stephen E. and  Tempea, Gabriel},
	volume = {18},
	number = {18},
	pages = {18615-18624}
}

@article{RID:1021152309307-114,
	title = {Hydrogen Forms in Water by Proton Transfer to a Distorted Electron},
	journal = {Journal of Physical Chemistry B},
	year = {2010},
	author = {Marsalek, Ondrej and  Frigato, Tomaso and  VandeVondele, Joost and  Bradforth, Stephen E. and  Schmidt, Burkhard and  Schuette, Christof and  Jungwirth, Pavel},
	volume = {114},
	number = {2},
	pages = {915-920}
}

@article{RID:1021152309308-113,
	title = {Interfacial Charge Transfer between CdTe Quantum Dots and Gram Negative Vs Gram Positive Bacteria},
	journal = {Environmental Science & Technology},
	year = {2010},
	author = {Dumas, Eve and  Gao, Cherry and  Suffern, Diana and  Bradforth, Stephen E. and  Dimitrijevic, Nada M. and  Nadeau, Jay L.},
	volume = {44},
	number = {4},
	pages = {1464-1470}
}

@article{RID:1021152309308-112,
	title = {Photoelectron spectroscopy of liquid water and aqueous solution: Electron effective attenuation lengths and emission-angle anisotropy},
	journal = {Journal of Electron Spectroscopy and Related Phenomena},
	year = {2010},
	author = {Ottosson, Niklas and  Faubel, Manfred and  Bradforth, Stephen E. and  Jungwirth, Pavel and  Winter, Bernd},
	volume = {177},
	number = {2-3},
	pages = {60-70}
}

@article{RID:1021152309308-119,
	title = {Degree of Initial Hole Localization/Delocalization in Ionized Water Clusters},
	journal = {Journal of Physical Chemistry a},
	year = {2009},
	author = {Pieniazek, Piotr A. and  Sundstrom, Eric J. and  Bradforth, Stephen E. and  Krylov, Anna I.},
	volume = {113},
	number = {16},
	pages = {4423-4429}
}

@article{RID:1021152309308-117,
	title = {Degree of Initial Hole Localization/Delocalization in Ionized Water Clusters (vol 113A, pg 4423, 2009)},
	journal = {Journal of Physical Chemistry a},
	year = {2009},
	author = {Pieniazek, Piotr A. and  Sundstrom, Eric J. and  Bradforth, Stephen E. and  Krylov, Anna I.},
	volume = {113},
	number = {28},
	pages = {8141}
}

@article{RID:1021152309308-120,
	title = {Electronic structure of liquid water from polarization-dependent two-photon absorption spectroscopy},
	journal = {Journal of Chemical Physics},
	year = {2009},
	author = {Elles, Christopher G. and  Rivera, Christopher A. and  Zhang, Yuyuan and  Pieniazek, Piotr A. and  Bradforth, Stephen E.},
	volume = {130},
	number = {8}
}

@article{RID:1021152309308-118,
	title = {Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and ab Initio Calculations},
	journal = {Journal of the American Chemical Society},
	year = {2009},
	author = {Slavicek, Petr and  Winter, Bernd and  Faubel, Manfred and  Bradforth, Stephen E. and  Jungwirth, Pavel},
	volume = {131},
	number = {18},
	pages = {6460-6467}
}

@article{RID:1021152309309-122,
	title = {Photoenhancement of lifetimes in CdSe/ZnS and CdTe quantum dot-dopamine conjugates},
	journal = {Physical Chemistry Chemical Physics},
	year = {2009},
	author = {Cooper, Daniel R. and  Suffern, Diana and  Carlini, Lina and  Clarke, Samuel J. and  Parbhoo, Rupesh and  Bradforth, Stephen E. and  Nadeau, Jay L.},
	volume = {11},
	number = {21},
	pages = {4298-4310}
}

@article{RID:1021152309309-121,
	title = {Photoenhancement of quantum dots and conjugates measured by time-resolved spectroscopy},
	journal = {Colloidal Quantum Dots For Biomedical Applications Iv},
	year = {2009},
	author = {Suffern, Diana and  Cooper, Daniel and  Carlini, Lina and  Parbhoo, Rupesh and  Bradforth, Stephen and  Nadeau, Jay and  Osinski, M and  Jovin, TM},
	volume = {7189}
}

@article{RID:1021152309309-115,
	title = {Synthesis and Spectroscopy of Poly(9,9-dihexylfluorene-2,7-dlyl-co-9, 9-dihexylfluorene-3,6-diyl)s and Their Model Oligomers},
	journal = {Macromolecules},
	year = {2009},
	author = {Fomina, Nadezda and  Bradforth, Stephen E. and  Hogen-Esch, Thieo E.},
	volume = {42},
	number = {17},
	pages = {6440-6447}
}

@article{RID:1021152309309-116,
	title = {Unraveling the primary reaction dynamics initiated by electronic excitation of pure water},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2009},
	author = {Elles, Christopher G. and  Bradforth, Stephen E.},
	volume = {238}
}

@article{RID:1021152309309-130,
	title = {CHED 396-Energy transfer in DNA oligomers},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2008},
	author = {Gaudard, Yvonne Jessica and  Chester, Christi and  Vilchiz, Victor and  Bradforth, Stephen E.},
	volume = {235}
}

@article{RID:1021152309309-125,
	title = {Charge localization and Jahn-Teller distortions in the benzene dimer cation},
	journal = {Journal of Chemical Physics},
	year = {2008},
	author = {Pieniazek, Piotr A. and  Bradforth, Stephen E. and  Krylov, Anna I.},
	volume = {129},
	number = {7}
}

@article{RID:1021152309310-127,
	title = {Electronic structure of the water dimer cation},
	journal = {Journal of Physical Chemistry a},
	year = {2008},
	author = {Pieniazek, Piotr A. and  VandeVondele, Joost and  Jungwirth, Pavel and  Krylov, Anna I. and  Bradforth, Stephen E.},
	volume = {112},
	number = {27},
	pages = {6159-6170}
}

@article{RID:1021152309310-123,
	title = {Investigation of Macrocyclic Polymers as Artificial Light Harvesters: Subpicosecond Energy Transfer in Poly(9,9-dimethyl-2-vinylfluorene)},
	journal = {Journal of Physical Chemistry B},
	year = {2008},
	author = {Johnson, Jerainne M. and  Chen, Rong and  Chen, Xiyi and  Moskun, Amy C. and  Zhang, Xi and  Hogen-Eseh, Thieo E. and  Bradforth, Stephen E.},
	volume = {112},
	number = {51},
	pages = {16367-16381}
}

@article{RID:1021152309310-129,
	title = {PHYS 170-Dynamics and spectroscopy of open-shell species in water: The ionization process},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2008},
	author = {Elles, Christopher G. and  Rivera, Christopher A. and  Bradforth, Stephen E.},
	volume = {235}
}

@article{RID:1021152309310-128,
	title = {PHYS 255-Solvent role in chemical reaction dynamics: Surface hopping and mode-specific energy dissipation},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2008},
	author = {Bradforth, Stephen E.},
	volume = {235}
}

@article{RID:1021152309310-126,
	title = {PHYS 539-Small molecule reactivity in water: Dissipation and nonadiabatic dynamics},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2008},
	author = {Bradforth, Stephen E.},
	volume = {236}
}

@article{RID:1021152309310-124,
	title = {Photoionization of atmospheric gases studied by time-resolved terahertz spectroscopy},
	journal = {Chemical Physics Letters},
	year = {2008},
	author = {Mics, Zoltan and  Kuzel, Petr and  Jungwirth, Pavel and  Bradforth, Stephen E.},
	volume = {465},
	number = {1-3},
	pages = {20-24}
}

@article{RID:1021152309310-131,
	title = {The ultrafast dynamics of photodetachment},
	journal = {Annual Review of Physical Chemistry},
	year = {2008},
	author = {Chen, Xiyi and  Bradforth, Stephen E.},
	volume = {59},
	pages = {203-231}
}

@article{RID:1021152309311-132,
	title = {AEI 113-Ionization mechanisms and pathways in liquid water},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2007},
	author = {Elles, Christopher G. and  Crowell, Robert A. and  Shkrob, Ilya A. and  Bradforth, Stephen E.},
	volume = {234}
}

@article{RID:1021152309311-1,
	title = {Benchmark full configuration interaction and equation-of-motion coupled-cluster model with single and double substitutions for ionized systems results for prototypical charge transfer systems: Noncovalent ionized dimers},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2007},
	author = {PIENIAZEK, PA and  ARNSTEIN, SA and  BRADFORTH, SE and  et al.},
	volume = {127},
	number = {16}
}

@article{RID:1021152309311-2,
	title = {Electronic structure of the benzene dimer cation},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2007},
	author = {PIENIAZEK, PA and  KRYLOV, AI and  BRADFORTH, SE},
	volume = {127},
	number = {4}
}

@article{RID:1021152309311-3,
	title = {Excited state dynamics of liquid water: Insight from the dissociation reaction following two-photon excitation},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2007},
	author = {ELLES, CG and  SHKROB, IA and  CROWELL, RA and  et al.},
	volume = {126},
	number = {16}
}

@article{RID:1021152309311-133,
	title = {PHYS 275-Effects of hydration on the dissociation and ionization chemistry of liquid H2O},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2007},
	author = {Elles, Christopher G. and  Crowell, Robert A. and  Rivera, Christopher A. and  Jungwirth, Pavel and  Bradforth, Stephen E.},
	volume = {234}
}

@article{RID:1021152309311-135,
	title = {PHYS 322-Ultrafast photophysics of DNA bases in solution: Motion to the conical intersection captured by 30 fs dispersed pump-probe spectroscopy},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2007},
	author = {Jailaubekov, Askat and  Chester, Christi and  Bradforth, Stephen E.},
	volume = {234}
}

@article{RID:1021152309311-134,
	title = {PHYS 693-Ultrarapid dynamics process is nucleic acid oligomers and photoreceptor protein analogs},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2007},
	author = {Larsen, Delmar Scott and  Jailaubekov, Askat and  To, Christina and  Bradforth, Stephen E.},
	volume = {234}
}

@article{RID:1021152309312-136,
	title = {PHYS 733-Probing the solvent effect on curve crossing in a photodissociation reaction in liquid water},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2007},
	author = {Rivera, Christopher A. and  Bradforth, Stephen E. and  Winter, Nicolas and  Harper, Rachael V. and  Benjamin, Ilan},
	volume = {234}
}

@article{RID:1021152309312-4,
	title = {Absence of a signature of aqueous I(P-2(1/2)) after 200-nm photodetachment of I-(aq)},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
	year = {2006},
	author = {MOSKUN, AC and  BRADFORTH, SE and  THOGERSEN, J and  et al.},
	volume = {110},
	number = {38},
	pages = {10947-10955}
}

@article{RID:1021152309312-13,
	title = {Electron binding energies of hydrated H3O+ and OH-: Photoelectron spectroscopy of aqueous acid and base solutions combined with electronic structure calculations},
	journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2006},
	author = {WINTER, B and  FAUBEL, M and  HERTEL, IV and  et al.},
	volume = {128},
	number = {12},
	pages = {3864-3865}
}

@article{RID:1021152309312-8,
	title = {Electron photodetachment from aqueous anions. 3. Dynamics of geminate pairs derived from photoexcitation of mono- vs polyatomic anions},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
	year = {2006},
	author = {LIAN, R and  OULIANOV, DA and  CROWELL, RA and  et al.},
	volume = {110},
	number = {29},
	pages = {9071-9078}
}

@article{RID:1021152309312-7,
	title = {Excitation-energy dependence of the mechanism for two-photon ionization of liquid H2O and D2O from 8.3 to 12.4 eV},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2006},
	author = {ELLES, CG and  JAILAUBEKOV, AE and  CROWELL, RA and  et al.},
	volume = {125},
	number = {4}
}

@article{RID:1021152309312-138,
	title = {Excited state dynamics of pure liquid water: Ionization and dissociation},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2006},
	author = {Elles, Christopher G. and  Crowell, Robert A. and  Shkrob, Ilya A. and  Bradforth, Stephen E.},
	volume = {232},
	pages = {74}
}

@inbook{RID:1021152309313-139,
	title = {Labeling of subcellular redox potential with dopamine-conjugated quantum dots - art. no. 60960O},
	chapter = {},
	pages = {O960},
	publisher = {},
	year = {2006},
	author = {Suffern, Diana and  Clarke, Samuel J. and  Hollmann, C. Annette and  Bahcheli, Daniel and  Bradforth, Stephen E. and  Nadeau, Jay L. and  Osinski, M and  Yamamoto, K and  Jovin, TM},
	editor = {},
	booktitle = {Colloidal Quantum Dots for Biomedical Applications},
	volume = {6096}
}

@article{RID:1021152309313-6,
	title = {Model systems for electron detachment revisited: Spectroscopy and energy dependent ejection dynamics from CTTS and other detaching states in liquid water},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2006},
	author = {CHEN, XY and  MOSKUN, AC and  THOGERSEN, J and  et al.},
	volume = {231}
}

@article{RID:1021152309313-137,
	title = {PHYS 365-Excited state dynamics of pure liquid water: Ionization and dissociation},
	journal = {Abstracts of Papers of the American Chemical Society},
	year = {2006},
	author = {Elles, Christopher G. and  Crowell, Robert A. and  Shkrob, Ilya A. and  Bradforth, Stephen E.},
	volume = {232}
}

@article{RID:1021152309313-11,
	title = {Photophysics of dopamine-modified quantumdots and effects on biological systems},
	journal = {NATURE MATERIALS},
	year = {2006},
	author = {CLARKE, SJ and  HOLLMANN, CA and  ZHANG, ZJ and  et al.},
	volume = {5},
	number = {5},
	pages = {409-417}
}

@article{RID:1021152309313-14,
	title = {Rotational coherence and a sudden breakdown in linear response seen in room-temperature liquids},
	journal = {SCIENCE},
	year = {2006},
	author = {MOSKUN, AC and  JAILAUBEKOV, AE and  BRADFORTH, SE and  et al.},
	volume = {311},
	number = {5769},
	pages = {1907-1911}
}

@article{RID:1021152309313-12,
	title = {Spectroscopy of the cyano radical in an aqueous environment},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
	year = {2006},
	author = {PIENIAZEK, PA and  BRADFORTH, SE and  KRYLOV, AI},
	volume = {110},
	number = {14},
	pages = {4854-4865}
}

@article{RID:1021152309313-5,
	title = {Two-photon ionization of liquid water from 8.3 to 12.4 eV},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2006},
	author = {ELLES, CG and  JAILAUBEKOV, A and  BRADFORTH, SE and  et al.},
	volume = {231}
	}

@article{RID:1021152309314-9,
	title = {EOM-IP-CC and EOM-EA-CC methods applied to charge transfer reactions},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2005},
	author = {PIENIAZEK, PA and  KRYLOV, AI and  BRADFORTH, SE},
	volume = {230},
	pages = {U2774}
}

@article{RID:1021152309314-19,
	title = {Electron binding energies of aqueous alkali and halide ions: EUV photoelectron spectroscopy of liquid solutions and combined ab initio and molecular dynamics calculations},
	journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2005},
	author = {WINTER, B and  WEBER, R and  HERTEL, IV and  et al.},
	volume = {127},
	number = {19},
	pages = {7203-7214}
}

@article{RID:1021152309314-16,
	title = {Nonresonant ionization of oxygen molecules by femtosecond pulses: Plasma dynamics studied by time-resolved terahertz spectroscopy},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2005},
	author = {MICS, Z and  KADLEC, F and  KUZEL, P and  et al.},
	volume = {123},
	number = {10}
}

@article{RID:1021152309314-140,
	title = {Photoionization mechanisms of oxygen probed by terahertz pulses},
	journal = {IRMMW-THz2005: The Joint 30th International Conference on Infrared and Millimeter Waves and 13th International Conference on Terahertz Electronics, Vols 1 and 2},
	year = {2005},
	author = {Mics, Z and  Kadlec, F and  Kuzel, P and  Jungwirth, P and  Bradforth, SE and  Apkarian, VA and  IEEE},
	pages = {485-486}
}

@article{RID:1021152309314-18,
	title = {Photophysical properties of biologically compatible CdSe quantum dot structures},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY B},
	year = {2005},
	author = {KLOEPFER, JA and  BRADFORTH, SE and  NADEAU, JL},
	volume = {109},
	number = {20},
	pages = {9996-10003}
}

@article{RID:1021152309314-15,
	title = {Probing the response of liquid water to non-thermal reactions: Persistent free rotation of a diatomic reaction product.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2005},
	author = {MOSKUN, AC and  JAILAUBEKOV, A and  BRADFORTH, SE},
	volume = {229},
	pages = {U718}
}

@article{RID:1021152309315-21,
	title = {Role of water in electron-initiated processes and radical chemistry: Issues and scientific advances},
	journal = {CHEMICAL REVIEWS},
	year = {2005},
	author = {GARRETT, BC and  DIXON, DA and  CAMAIONI, DM and  et al.},
	volume = {105},
	number = {1},
	pages = {355-389}
}

@article{RID:1021152309315-22,
	title = {Solvent effects on geminate recombination dynamics after photodetachment},
	journal = {RADIATION PHYSICS AND CHEMISTRY},
	year = {2005},
	author = {VILCHIZ, VH and  CHEN, XY and  KLOEPFER, JA and  et al.},
	volume = {72},
	number = {2-3},
	pages = {159-167}
}

@article{RID:1021152309315-10,
	title = {Sub-100 fs ultrafast dynamics in nucleic acids and polynucleotides},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2005},
	author = {LARSEN, D and  JAILAUBEKOV, A and  TO, C and  et al.},
	volume = {230},
	pages = {U2781}
}

@article{RID:1021152309315-17,
	title = {Tunable 30-femtosecond pulses across the deep ultraviolet},
	journal = {APPLIED PHYSICS LETTERS},
	year = {2005},
	author = {JAILAUBEKOV, AE and  BRADFORTH, SE},
	volume = {87},
	number = {2}
}

@article{RID:1021152309315-23,
	title = {Dynamics of radicals in solution probed by femtosecond photodissociation and photodetachment.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2004},
	author = {MOSKUN, AC and  CHEN, XY and  BRADFORTH, SE},
	volume = {227},
	pages = {U257}
}

@article{RID:1021152309315-26,
	title = {Electron photodetachment from aqueous anions. 2. Ionic strength effect on geminate recombination dynamics and quantum yield for hydrated electron},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
	year = {2004},
	author = {SAUER, MC and  SHKROB, IA and  LIAN, R and  et al.},
	volume = {108},
	number = {47},
	pages = {10414-10425}
}

@article{RID:1021152309315-20,
	title = {New description of the electronic spectrum of aqueous anions.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2004},
	author = {DOUCET, DE and  KRYLOV, AI and  BRADFORTH, SE},
	volume = {227},
	pages = {U448}
}

@article{RID:1021152309315-24,
	title = {Photodissociation dynamics of BrCN and ICN in solution},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2004},
	author = {MOSKUN, AC and  BRADFORTH, SE},
	volume = {227},
	pages = {U318}
}

@article{RID:1021152309316-27,
	title = {Ultrafast dynamics for electron photodetachment from aqueous hydroxide},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2004},
	author = {CROWELL, RA and  LIAN, R and  SHKROB, IA and  et al.},
	volume = {120},
	number = {24},
	pages = {11712-11725}
}

@article{RID:1021152309316-25,
	title = {Ultrashort deep ultraviolet pulses for reaction dynamics studies in solution},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2004},
	author = {JAILAUBEKOV, A and  BRADFORTH, SE},
	volume = {227},
	pages = {U337}
}

@article{RID:1021152309316-30,
	title = {Electron photodetachment from aqueous halide ions via CTTS states and the bulk conduction band.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2003},
	author = {CHEN, XY and  KLOEPFER, JA and  BRADFORTH, SE},
	volume = {226},
	pages = {U338}
}

@article{RID:1021152309316-32,
	title = {Flowing liquid sample jet for resonance Raman and ultrafast optical spectroscopy},
	journal = {REVIEW OF SCIENTIFIC INSTRUMENTS},
	year = {2003},
	author = {TAUBER, MJ and  MATHIES, RA and  CHEN, XY and  et al.},
	volume = {74},
	number = {11},
	pages = {4958-4960}
}

@article{RID:1021152309316-28,
	title = {Long-lived solute rotational excitation in room temperature liquids.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2003},
	author = {MOSKUN, ACG and  BRADFORTH, SE},
	volume = {225},
	pages = {U441}
}

@inbook{RID:1021152309316-143,
	title = {Mechanisms for photodetachment in water},
	chapter = {},
	pages = {471-473},
	publisher = {},
	year = {2003},
	author = {Kloepfer, JA and  Vilchiz, VH and  Lenchenkov, VA and  Bradforth, SE and  Miller, DR and  Murnane, MM and  Scherer, NF and  Weiner, AM},
	editor = {},
	booktitle = {Ultrafast Phenomena Xiii},
	volume = {71}
}

@article{RID:1021152309316-33,
	title = {Photodissociation of ICN in polar solvents: Evidence for long lived rotational excitation in room temperature liquids},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2003},
	author = {MOSKUN, AC and  BRADFORTH, SE},
	volume = {119},
	number = {8},
	pages = {4500-4515}
}

@inbook{RID:1021152309317-142,
	title = {Photodissociation of ICN in polar solvents: evidence of long lived rotational excitation in real liquids},
	chapter = {},
	pages = {426-428},
	publisher = {},
	year = {2003},
	author = {Germaine, AC and  Bradforth, SE and  Miller, DR and  Murnane, MM and  Scherer, NF and  Weiner, AM},
	editor = {},
	booktitle = {Ultrafast Phenomena Xiii},
	volume = {71}
}

@article{RID:1021152310643-29,
	title = {Probing ionization in liquid water with 25fs resolution.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2003},
	author = {JAILAUBEKOV, A and  BRADFORTH, SE},
	volume = {226},
	pages = {U296}
}

@inbook{RID:1021152310643-141,
	title = {Spectroscopy of macrocyclic poly (9,9-dimethyl-2-vinylfluorene) as an artificial light harvester},
	chapter = {},
	pages = {517-519},
	publisher = {},
	year = {2003},
	author = {Johnson, JM and  Chen, X and  Germaine, AC and  Zhang, X and  Alberty, K and  Hogen-Esch, TE and  Bradforth, SE and  Miller, DR and  Murnane, MM and  Scherer, NF and  Weiner, AM},
	editor = {},
	booktitle = {Ultrafast Phenomena Xiii},
	volume = {71}
}

@article{RID:1021152310643-31,
	title = {Ultraviolet absorption and fluorescence emission spectroscopic studies of macrocyclic and linear poly(9,9-dimethyl-2-vinylfluorene). Evidence for ground-state chromophore interactions},
	journal = {MACROMOLECULES},
	year = {2003},
	author = {CHEN, R and  JOHNSON, JM and  BRADFORTH, SE and  et al.},
	volume = {36},
	number = {26},
	pages = {9966-9970}
}

@article{RID:1021152310643-36,
	title = {Characterization and fluorescence of macrocyclic polystyrene by anionic end to end coupling. Role of coupling reagents},
	journal = {MACROMOLECULES},
	year = {2002},
	author = {ALBERTY, KA and  TILLMAN, E and  CARLOTTI, S and  et al.},
	volume = {35},
	number = {10},
	pages = {3856-3865}
}

@article{RID:1021152310643-34,
	title = {Electron photodetachment in solution},
	journal = {LIQUID DYNAMICS: EXPERIMENT, SIMULATION, AND THEORY},
	year = {2002},
	author = {KLOEPFER, JA and  VILCHIZ, VH and  LENCHENKOV, VA and  et al.},
	volume = {820},
	pages = {108-121}
}

@article{RID:1021152310643-37,
	title = {Excited states of iodide anions in water: A comparison of the electronic structure in clusters and in bulk solution},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
	year = {2002},
	author = {BRADFORTH, SE and  JUNGWIRTH, P},
	volume = {106},
	number = {7},
	pages = {1286-1298}
}

@article{RID:1021152310644-35,
	title = {Time-resolved scavenging and recombination dynamics from l : e(-) caged pairs},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2002},
	author = {KLOEPFER, JA and  VILCHIZ, VH and  LENCHENKOV, VA and  et al.},
	volume = {117},
	number = {2},
	pages = {766-778}
}

@article{RID:1021152310644-42,
	title = {Electron photodetachment from [Fe(CN)(6)](4-): photoelectron relaxation and geminate recombination},
	journal = {CHEMICAL PHYSICS LETTERS},
	year = {2001},
	author = {LENCHENKOV, V and  KLOEPFER, J and  VILCHIZ, V and  et al.},
	volume = {342},
	number = {3-4},
	pages = {277-286}
}

@article{RID:1021152310644-38,
	title = {Electron photodetachment from complex anions: Fe(CN)(6)(4-) and CuBr2-.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2001},
	author = {LENCHENKOV, VA and  KLOEPFER, JA and  VILCHIZ, VH and  et al.},
	volume = {221},
	pages = {U270}
}

@inbook{RID:1021152310644-144,
	title = {Femtosecond study of electron photodetachment from complex anions: Fe(CN)(6)(4-) and CuBr2- in H2O},
	chapter = {},
	pages = {476-478},
	publisher = {},
	year = {2001},
	author = {Lenchenkov, V and  Vilchiz, V and  Kloepfer, J and  Bradforth, S and  Elsaesser, T and  Mukamel, S and  Murnane, MM and  Scherer, NF},
	editor = {},
	booktitle = {Ultrafast Phenomena Xii},
	volume = {66}
}

@article{RID:1021152310644-41,
	title = {Formation of cyclic polystyrene by anionic polymerization: Fluorescence studies.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2001},
	author = {ALBERTY, KA and  TILLMAN, ES and  CARLOTTI, S and  et al.},
	volume = {221},
	pages = {U309}
}

@article{RID:1021152310644-43,
	title = {Map for the relaxation dynamics of hot photoelectrons injected into liquid water via anion threshold photodetachment and above threshold solvent ionization},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
	year = {2001},
	author = {VILCHIZ, VH and  KLOEPFER, JA and  GERMAINE, AC and  et al.},
	volume = {105},
	number = {10},
	pages = {1711-1723}
}

@article{RID:1021152310644-39,
	title = {Mapping the relaxation dynamics of hot photoinjected electrons in liquid water.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2001},
	author = {VILCHIZ, VH and  KLOEPFER, JA and  GERMAINE, AC and  et al.},
	volume = {221},
	pages = {U271}
}

@article{RID:1021152310645-40,
	title = {Spectroscopic investigation of macrocyclic poly(9,9,-dimethyl-2-vinylfluorene) as an artificial light harvester.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2001},
	author = {JOHNSON, JM and  GERMAINE, AC and  KLOEPFER, JA and  et al.},
	volume = {221},
	pages = {U278}
}

@inbook{RID:1021152310645-145,
	title = {Ultrafast thermalization dynamics of hot photoelectrons injected into water},
	chapter = {},
	pages = {467-469},
	publisher = {},
	year = {2001},
	author = {Vilchiz, VH and  Kloepfer, JA and  Germaine, AC and  Lenchenkov, VA and  Bradforth, SE and  Elsaesser, T and  Mukamel, S and  Murnane, MM and  Scherer, NF},
	editor = {},
	booktitle = {Ultrafast Phenomena Xii},
	volume = {66}
}

@article{RID:1021152310645-44,
	title = {Photochemistry in aqueous solutions: The mechanisms of photoionization and threshold photodetachment.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2000},
	author = {BRADFORTH, SE and  VILCHIZ, VH and  KLOEPFER, JA and  et al.},
	volume = {220},
	pages = {U189}
}

@article{RID:1021152310645-46,
	title = {Pump-probe studies of the relaxation of a hot photoelectron ejected in aqueous solution.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {2000},
	author = {VILCHIZ, VH and  GERMAINE, AC and  KLOEPFER, JA and  et al.},
	volume = {219},
	pages = {U274}
}

@article{RID:1021152310645-45,
	title = {The ejection distribution of solvated electrons generated by the one-photon photodetachment of aqueous I- and two-photon ionization of the solvent},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {2000},
	author = {KLOEPFER, JA and  VILCHIZ, VH and  LENCHENKOV, VA and  et al.},
	volume = {113},
	number = {15},
	pages = {6288-6307}
}

@article{RID:1021152310645-50,
	title = {Electron photodetachment dynamics of complex anions in solution.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1999},
	author = {LENCHENKOV, VA and  KLOEPFER, JA and  VILCHIZ, VH and  et al.},
	volume = {217},
	pages = {U347}
}

@article{RID:1021152310645-48,
title = {Electron photodetachment of aqueous anions.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1999},
	author = {BRADFORTH, S and  VILCHIZ, V and  KLOEPFER, J and  et al.},
	volume = {217},
	pages = {U300}
}

@article{RID:1021152310646-47,
	title = {Photodetachment in liquid water.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1999},
	author = {BRADFORTH, SE and  LENCHENKOV, VA and  KLOEPFER, JA and  et al.},
	volume = {218},
	pages = {U298}
}

@article{RID:1021152310646-49,
	title = {Studies of the geminate recombination and electron escape yield from photoproducts of the aqueous iodide CTTS system.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1999},
	author = {VILCHIZ, VH and  KLOEPFER, JA and  LENCHENKOV, VA and  et al.},
	volume = {217},
	pages = {U347}
}

@article{RID:1021152310646-51,
	title = {Femtosecond dynamics of photodetachment of the iodide anion in solution: resonant excitation into the charge-transfer-to-solvent state},
	journal = {CHEMICAL PHYSICS LETTERS},
	year = {1998},
	author = {KLOEPFER, JA and  VILCHIZ, VH and  LENCHENKOV, VA and  et al.},
	volume = {298},
	number = {1-3},
	pages = {120-128}
}

@article{RID:1021152310646-52,
	title = {Femtosecond photodetachment in solution: Electron detachment through direct excitation into the CTTS state of aqueous iodide.},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1998},
	author = {BRADFORTH, S and  KLOEPFER, J and  VILCHIZ, V and  et al.},
	volume = {216},
	pages = {U700}
}

@article{RID:1021152310646-54,
	title = {Electronic excitation transfer in the LH2 complex of Rhodobacter sphaeroides},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY},
	year = {1996},
	author = {JIMENEZ, R and  DIKSHIT, SN and  BRADFORTH, SE and  et al.},
	volume = {100},
	number = {16},
	pages = {6825-6834}
}

@article{RID:1021152310646-55,
	title = {Femtosecond dynamics in bacterial light-harvesting proteins.},
	journal = {BIOPHYSICAL JOURNAL},
	year = {1996},
	author = {FLEMING, GR and  BRADFORTH, S and  JIMINEZ, R},
	volume = {70},
	number = {2},
	pages = {SUPM3}
}

@article{RID:1021152310646-53,
	title = {Internal conversion and energy transfer dynamics of spheroidene in solution and in the LH-1 and LH-2 light-harvesting complexes},
	journal = {CHEMICAL PHYSICS LETTERS},
	year = {1996},
	author = {RICCI, M and  BRADFORTH, SE and  JIMENEZ, R and  et al.},
	volume = {259},
	number = {3-4},
	pages = {381-390}
}

@article{RID:1021152310647-146,
	title = {Singlet energy transfer from carotenoids in purple bacterial light harvesting antenna},
	journal = {Femtochemistry},
	year = {1996},
	author = {Bradforth, SE and  Jimenez, R and  Ricci, M and  Dikshit, SN and  Fleming, GR and  Chergui, M},
	pages = {427-430}
}

@article{RID:1021152310647-56,
	title = {EXCITATION TRANSFER IN THE CORE LIGHT-HARVESTING COMPLEX (LH-1) OF RHODOBACTER-SPHAEROIDES - AN ULTRAFAST FLUORESCENCE DEPOLARIZATION AND ANNIHILATION STUDY},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY},
	year = {1995},
	author = {BRADFORTH, SE and  JINENEZ, R and  VANMOURIK, F and  et al.},
	volume = {99},
	number = {43},
	pages = {16179-16191}
}

@article{RID:1021152310647-147,
	title = {Electronic excitation transfer in bacterial light harvesting complexes},
	journal = {Photosynthesis: From Light To Biosphere, Vol I},
	year = {1995},
	author = {Bradforth, SE and  Jimenez, R and  Dikshit, SN and  Fleming, GR and  Mathis, P},
	pages = {23-28}
}

@article{RID:1021152310647-60,
	title = {FEMTOSECOND WAVEPACKET SPECTROSCOPY - INFLUENCE OF TEMPERATURE, WAVELENGTH, AND PULSE DURATION},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY},
	year = {1995},
	author = {JONAS, DM and  BRADFORTH, SE and  PASSINO, SA and  et al.},
	volume = {99},
	number = {9},
	pages = {2594-2608}
}

@article{RID:1021152310647-58,
	title = {FLUORESCENCE DEPOLARIZATION IN THE LH-I COMPLEX OF RHODOBACTER-SPHAEROIDES},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1995},
	author = {JIMENEZ, R and  BRADFORTH, SE and  FLEMING, GR and  et al.},
	volume = {210},
	pages = {290-PHYS}
}

@article{RID:1021152310647-61,
	title = {STUDY OF HALOGEN CARBON-DIOXIDE CLUSTERS AND THE FLUOROFORMYLOXYL RADICAL BY PHOTODETACHMENT OF X(-)(CO2) (X=I,CL,BR) AND FCO2-},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1995},
	author = {ARNOLD, DW and  BRADFORTH, SE and  KIM, EH and  et al.},
	volume = {102},
	number = {9},
	pages = {3493-3509}
}

@article{RID:1021152310647-57,
	title = {STUDY OF HCO2 AND DCO2 BY NEGATIVE-ION PHOTOELECTRON-SPECTROSCOPY},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1995},
	author = {KIM, EH and  BRADFORTH, SE and  ARNOLD, DW and  et al.},
	volume = {103},
	number = {18},
	pages = {7801-7814}
}

@article{RID:1021152310648-62,
	title = {STUDY OF I-(CO2)N, BR-(CO2)N, AND I-(N2O)N CLUSTERS BY ANION PHOTOELECTRON-SPECTROSCOPY},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1995},
	author = {ARNOLD, DW and  BRADFORTH, SE and  KIM, EH and  et al.},
	volume = {102},
	number = {9},
	pages = {3510-3518}
}

@article{RID:1021152310648-59,
	title = {ULTRAFAST INTERNAL-CONVERSION OF SPHEROIDENE IN-VITRO},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1995},
	author = {RICCI, M and  JIMENEZ, R and  BRADFORTH, SE and  et al.},
	volume = {210},
	pages = {293-PHYS}
}

@article{RID:1021152310648-63,
	title = {ENERGY-TRANSFER IN PHOTOSYNTHETIC LIGHT-HARVESTING COMPLEXES},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1994},
	author = {BRADFORTH, SE and  JIMENEZ, R and  NAGARAJAN, S and  et al.},
	volume = {208},
	pages = {76-PHYS}
}

@article{RID:1021152310648-64,
	title = {EXPERIMENTAL AND THEORETICAL-STUDY OF THE O+HCL TRANSITION-STATE REGION BY PHOTODETACHMENT OF OHCL-},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1994},
	author = {DAVIS, MJ and  KOIZUMI, H and  SCHATZ, GC and  et al.},
	volume = {101},
	number = {6},
	pages = {4708-4721}
}

@article{RID:1021152310648-65,
	title = {STUDY OF HCOO AND DCOO BY ANION PHOTOELECTRON-SPECTROSCOPY},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1994},
	author = {KIM, EH and  BRADFORTH, SE and  ARNOLD, DW and  et al.},
	volume = {207},
	pages = {217-PHYS}
}

@article{RID:1021152310648-66,
	title = {STUDY OF THE F+H-2 TRANSITION-STATE REGION BY ANION PHOTOELECTRON-SPECTROSCOPY},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1994},
	author = {ARNOLD, DW and  BRADFORTH, SE and  NEUMARK, DM},
	volume = {207},
	pages = {238-PHYS}
}

@article{RID:1021152310648-68,
	title = {EXPERIMENTAL AND THEORETICAL-STUDIES OF THE F+H-2 TRANSITION-STATE REGION VIA PHOTOELECTRON-SPECTROSCOPY OF FH2-},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1993},
	author = {BRADFORTH, SE and  ARNOLD, DW and  NEUMARK, DM and  et al.},
	volume = {99},
	number = {9},
	pages = {6345-6359}
}

@article{RID:1021152310648-69,
	title = {PHOTOELECTRON-SPECTROSCOPY OF CN-, NCO-, AND NCS-},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1993},
	author = {BRADFORTH, SE and  KIM, EH and  ARNOLD, DW and  et al.},
	volume = {98},
	number = {2},
	pages = {800-810}
}

@article{RID:1021152310649-67,
	title = {THE TRANSITION-STATE OF THE F+H-2 REACTION},
	journal = {SCIENCE},
	year = {1993},
	author = {MANOLOPOULOS, DE and  STARK, K and  WERNER, HJ and  et al.},
	volume = {262},
	number = {5141},
	pages = {1852-1855}
}

@article{RID:1021152310649-70,
	title = {ANION PHOTOELECTRON-SPECTROSCOPY OF IODINE-CARBON DIOXIDE CLUSTERS},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1992},
	author = {ARNOLD, DW and  BRADFORTH, SE and  KIM, EH and  et al.},
	volume = {97},
	number = {12},
	pages = {9468-9471}
}

@article{RID:1021152310649-71,
	title = {TRANSITION-STATE SPECTROSCOPY ON MULTIPLE POTENTIAL-ENERGY SURFACES - THE HYDROGEN TRANSFER-REACTIONS F+H2 F+OH AND CL+OH},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1992},
	author = {BRADFORTH, SE and  WEAVER, A and  ARNOLD, DW and  et al.},
	volume = {203},
	pages = {222-PHYS}
}

@article{RID:1021152310649-74,
	title = {BROAD-BAND TRANSIENT INFRARED-LASER SPECTROSCOPY OF TRIFLUOROVINYL RADICAL, C2F3 - EXPERIMENTAL AND ABINITIO RESULTS},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY},
	year = {1991},
	author = {WURFEL, BE and  PUGLIANO, N and  BRADFORTH, SE and  et al.},
	volume = {95},
	number = {7},
	pages = {2932-2937}
}

@article{RID:1021152310649-75,
	title = {EXAMINATION OF THE 2A2' AND 2E'' STATES OF NO3 BY ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY OF NO3-},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1991},
	author = {WEAVER, A and  ARNOLD, DW and  BRADFORTH, SE and  et al.},
	volume = {94},
	number = {3},
	pages = {1740-1751}
}

@article{RID:1021152310649-73,
	title = {SPECTROSCOPY OF THE TRANSITION-STATE - HYDROGEN ABSTRACTION REACTIONS OF FLUORINE},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY},
	year = {1991},
	author = {BRADFORTH, SE and  ARNOLD, DW and  METZ, RB and  et al.},
	volume = {95},
	number = {21},
	pages = {8066-8078}
}

@article{RID:1021152310649-72,
	title = {VIBRATIONALLY RESOLVED SPECTRA OF C2-C-11 BY ANION PHOTOELECTRON-SPECTROSCOPY},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1991},
	author = {ARNOLD, DW and  BRADFORTH, SE and  KITSOPOULOS, TN and  et al.},
	volume = {95},
	number = {12},
	pages = {8753-8764}
}

@article{RID:1021152310650-77,
	title = {EXAMINATION OF THE BR+HL, CL+HL, AND F+HL HYDROGEN ABSTRACTION REACTIONS BY PHOTOELECTRON-SPECTROSCOPY OF BRHL-, CLHL-, AND FHL-},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1990},
	author = {BRADFORTH, SE and  WEAVER, A and  ARNOLD, DW and  et al.},
	volume = {92},
	number = {12},
	pages = {7205-7222}
}

@article{RID:1021152310650-76,
	title = {INVESTIGATION OF THE F+H-2 TRANSITION-STATE REGION VIA PHOTOELECTRON-SPECTROSCOPY OF THE FH-2 ANION},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1990},
	author = {WEAVER, A and  METZ, RB and  BRADFORTH, SE and  et al.},
	volume = {93},
	number = {7},
	pages = {5352-5353}
}

@article{RID:1021152310650-78,
	title = {PROBING THE TRANSITION-STATE WITH NEGATIVE-ION PHOTODETACHMENT - THE CL + HCL AND BR + HBR REACTIONS},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY},
	year = {1990},
	author = {METZ, RB and  WEAVER, A and  BRADFORTH, SE and  et al.},
	volume = {94},
	number = {4},
	pages = {1377-1388}
}

@article{RID:1021152310650-79,
	title = {OBSERVATION OF THE A(2B2) AND C(2A2) STATES OF NO2 BY NEGATIVE-ION PHOTOELECTRON-SPECTROSCOPY OF NO2-},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	year = {1989},
	author = {WEAVER, A and  METZ, RB and  BRADFORTH, SE and  et al.},
	volume = {90},
	number = {3},
	pages = {2070-2071}
}

@article{RID:1021152310650-81,
	title = {PROBING THE TRANSITION-STATE WITH NEGATIVE-ION PHOTODETACHMENT},
	journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
	year = {1988},
	author = {METZ, RB and  WEAVER, A and  BRADFORTH, SE and  et al.},
	volume = {196},
	pages = {65-PHYS}
}

@article{RID:1021152310650-80,
	title = {SPECTROSCOPY OF THE I + HI TRANSITION-STATE REGION BY PHOTODETACHMENT OF IHI-},
	journal = {JOURNAL OF PHYSICAL CHEMISTRY},
	year = {1988},
	author = {WEAVER, A and  METZ, RB and  BRADFORTH, SE and  et al.},
	volume = {92},
	number = {20},
	pages = {5558-5560}
}