Hybridization as a metric for the reaction coordinate of chemical reactions

被引:40
|
作者
Haddon, RC [1 ]
Chow, SY
机构
[1] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA
[2] Univ Kentucky, Dept Phys, Lexington, KY 40506 USA
关键词
D O I
10.1021/ja981858f
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The reaction coordinate is usually chosen to be a simple function of the bonds that are broken or formed in a chemical reaction. Although such an approach is adequate for the analysis of isolated reaction processes, it does not provide a general metric that allows ready comparison between different chemical reactions. In this paper, we introduce hybridization as a unifying metric for the degree of structural progress in organic reaction processes and illustrate the usefulness of such an analysis by reference to the Hammond postulate and electrocyclic reactions.
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收藏
页码:10494 / 10496
页数:3
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