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.
引用
收藏
页码:10494 / 10496
页数:3
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