Experimental evidence for the role of the πCO* orbital in electron transfer to gas phase acetic acid CH3CO2H: Effects of molecular orientation

被引：24

作者：

Brooks, Philip R. ^{[1
,2
]}

机构：

[1] Rice Univ, Dept Chem, Houston, TX 77251 USA

[2] Rice Univ, Rice Quantum Inst, Houston, TX 77251 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2009年 / 130卷 / 15期

基金：

美国国家科学基金会;

关键词：

atom-molecule collisions; charge exchange; dissociation energies; molecular beams; molecular configurations; organic compounds; potassium; SIMPLE ORGANIC-ACIDS; DNA-STRAND BREAKS; FORMIC-ACID; ORIENTED MOLECULES; PHOTOELECTRON-SPECTROSCOPY; TRANSFER COLLISIONS; BUTYL BROMIDE; ATTACHMENT; HCOOH; NITROMETHANE;

D O I：

10.1063/1.3122902

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Electron transfer from K atoms to oriented acetic acid molecules produces acetate ions (and K+) when the CO2H end of the molecule is attacked. The electron enters the pi(*)(CO) orbital and the donor atom distorts the molecule to allow migration to the sigma(*)(OH) orbital, thereby breaking the bond.

引用

页数：4

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