A relation between energies of the short-lived negative ion states and energies of unfilled molecular orbitals for a series of bromoalkanes

Authors

S. A. Pshenichnyuk, Russian Academy of SciencesFollow
N. L. Asfandiarov, Russian Academy of Sciences
Paul Burrow, University of Nebraska - LincolnFollow

Date of this Version

2007

Citation

Published in Russian Chemical Bulletin, International Edition, Vol. 56, No. 6, pp. 1268—1270, June, 2007. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1222—1224, June, 2007.

Comments

Copyright © 2007 Springer Science+Business Media, Inc. Used by permission.

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.