A relation between energies of the short-lived negative ion states and energies of unfilled molecular orbitals for a series of bromoalkanes |
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| Authors: | S. A. Pshenichnyuk N. L. Asfandiarov P. D. Burrow |
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| Affiliation: | (1) Institute of Physics of Molecules and Crystals, Russian Academy of Sciences, 151 prosp. Oktyabrya, 450075 Ufa, Russian Federation;(2) Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588-0111, USA |
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| Abstract: | A series of bromoalkanes was investigated by means of electron transmission spectroscopy in the gas phase. Experimental values of vertical electron affinities associated with occupation of the LUMO by an incoming electron were assigned using ab initio quantum chemical calculations. The predicted vertical electron affinity values differ from measured ones by at most ±0.2 eV. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1222–1224, June, 2007. |
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| Keywords: | electron capture vertical electron affinity shape resonance quantum chemical calculations |
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