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

被引：22

作者：

Pshenichnyuk, S. A. ^{[1
]}

Asfandiarov, N. L. ^{[1
]}

Burrow, P. D. ^{[2
]}

机构：

[1] Russian Acad Sci, Inst Phys Mol & Crystals, Ufa 450075, Russia

[2] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA

来源：

RUSSIAN CHEMICAL BULLETIN | 2007年 / 56卷 / 06期

基金：

俄罗斯基础研究基金会;

关键词：

electron capture; vertical electron affinity; shape resonance; quantum chemical calculations;

D O I：

10.1007/s11172-007-0192-z

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：1268 / 1270

页数：3

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