Design and synthesis of aromatic molecules for probing electric-fields at the nanoscale. Faez, S., Verhart, N. R., Markoulides, M., Buda, F., Gourdon, A., & Orrit, M. Faraday Discussions, 184:251–262, 2015. arXiv: 1511.08597![Design and synthesis of aromatic molecules for probing electric-fields at the nanoscale [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi abstract bibtex We propose using halogenated organic dyes as nanoprobes for electric field and show their greatly enhanced Stark coefficients using density functional theory (DFT) calculations. We analyse halogenated variants of three molecules that have been of interest for cryogenic single molecule spectroscopy, perylene, terrylene, and dibenzoterrylene, with the zero-phonon optical transitions at blue, red, and near infrared. Out of all the combinations of halides and binding sites that are calculated, we have found that fluorination of the optimum binding site induces a dipole difference between ground and excited states larger than 0.5 D for all three molecules with the highest value of 0.69 D for fluoroperylene. We also report on synthesis of 3-fluoroterrylene and bulk spectroscopy of this compound in liquid and solid organic environments.
@article{faez_design_2015,
title = {Design and synthesis of aromatic molecules for probing electric-fields at the nanoscale},
volume = {184},
issn = {1359-6640, 1364-5498},
url = {http://arxiv.org/abs/1511.08597},
doi = {10.1039/C5FD00065C},
abstract = {We propose using halogenated organic dyes as nanoprobes for electric field and show their greatly enhanced Stark coefficients using density functional theory (DFT) calculations. We analyse halogenated variants of three molecules that have been of interest for cryogenic single molecule spectroscopy, perylene, terrylene, and dibenzoterrylene, with the zero-phonon optical transitions at blue, red, and near infrared. Out of all the combinations of halides and binding sites that are calculated, we have found that fluorination of the optimum binding site induces a dipole difference between ground and excited states larger than 0.5 D for all three molecules with the highest value of 0.69 D for fluoroperylene. We also report on synthesis of 3-fluoroterrylene and bulk spectroscopy of this compound in liquid and solid organic environments.},
urldate = {2020-07-25},
journal = {Faraday Discussions},
author = {Faez, Sanli and Verhart, Nico R. and Markoulides, Marios and Buda, Francesco and Gourdon, André and Orrit, Michel},
year = {2015},
note = {arXiv: 1511.08597},
keywords = {Condensed Matter - Materials Science, Physics - Chemical Physics},
pages = {251--262}
}
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