An examination of hydrogen exchange in CH5+ by the CNDO method

被引：22

作者：

Ehrenson, S. ^{[1
]}

机构：

[1] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 3卷 / 08期

关键词：

D O I：

10.1016/0009-2614(69)85116-X

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：

An energy surface study for the CH; ion by the CNDO/2 method reveals there may be pathways for racemization of configuration of alkanes. out of electrophilic protonation complexes. C-S symmetry ions. which are substantially more favorable than pathways for Walden inversion.

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页码：585 / 588

页数：4

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