DISSOCIATION OF THE TERTIARY BUTANOL RADICAL CATION

被引：6

作者：

BEVERIDGE, W ^{[1
]}

GARIOCH, IW ^{[1
]}

HUNTER, JA ^{[1
]}

JOHNSON, CAF ^{[1
]}

PARKER, JE ^{[1
]}

机构：

[1] HERIOT WATT UNIV,DEPT CHEM,EDINBURGH EH14 4AS,MIDLOTHIAN,SCOTLAND

来源：

ORGANIC MASS SPECTROMETRY | 1991年 / 26卷 / 05期

关键词：

D O I：

10.1002/oms.1210260510

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The ionization and lowest energy unimolecular dissociation of tert-butanol were modelled by ab initio molecular orbital methods. The ion is formed on a repulsive surface and gives a methyl radical and protonated acetone as products with the liberation of 0.54 eV of energy. The calculations predict the formation of an electrostatically bound ion-neutral complex which is also subject to steric constraints.

引用

页码：416 / 420

页数：5

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