Electronic structure of semiconductor clusters and the special stability of - A gas phase Zintl analogue. Gupta, U., Ulises Reveles, J., Melko, J. J., Khanna, S. N., & Castleman Jr., A. Chemical Physics Letters, 467(4-6):223–229, January, 2009. ![Electronic structure of semiconductor clusters and the special stability of - A gas phase Zintl analogue [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi abstract bibtex Here we present evidence that the gap between the highest occupied and lowest unoccupied molecular orbitals (HOMO-LUMO gap) can be tuned (1.12-1.89 eV) by changing the Ga composition of Bi3Gay anionic and neutral clusters, some of which display special stability. Collaboratively, mass spectrometry, photoelectron spectroscopy and computational results show that is a very stable cluster with a large calculated HOMO-LUMO gap of 1.89 eV, and can be viewed as a gas phase Zintl analogue of , already synthesized in the solution phase. The stability of is further attributed to the fact that it has 12 valence electrons and possesses a closo structure in agreement with Wade's rules.
@article{gupta_electronic_2009,
title = {Electronic structure of semiconductor clusters and the special stability of - {A} gas phase {Zintl} analogue},
volume = {467},
issn = {0009-2614},
url = {http://www.sciencedirect.com/science/article/B6TFN-4TXF81D-1/2/d7fd3e9e37a1df81edac669aa1e7ed40},
doi = {10.1016/j.cplett.2008.11.036},
abstract = {Here we present evidence that the gap between the highest occupied and lowest unoccupied molecular orbitals (HOMO-LUMO gap) can be tuned (1.12-1.89 eV) by changing the Ga composition of Bi3Gay anionic and neutral clusters, some of which display special stability. Collaboratively, mass spectrometry, photoelectron spectroscopy and computational results show that is a very stable cluster with a large calculated HOMO-LUMO gap of 1.89 eV, and can be viewed as a gas phase Zintl analogue of , already synthesized in the solution phase. The stability of is further attributed to the fact that it has 12 valence electrons and possesses a closo structure in agreement with Wade's rules.},
number = {4-6},
urldate = {2009-01-28},
journal = {Chemical Physics Letters},
author = {Gupta, Ujjwal and Ulises Reveles, J. and Melko, Joshua J. and Khanna, Shiv N. and Castleman Jr., A.W.},
month = jan,
year = {2009},
pages = {223--229},
}
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