Electron fluctuation in pericyclic and pseudopericyclic reactions

被引：42

作者：

Matito, E

Poater, J

Duran, M

Solà, M

机构：

[1] Free Univ Amsterdam, Scheikundig Lab, Afdeling Theoret Chem, NL-1081 HV Amsterdam, Netherlands

[2] Univ Girona, Inst Quim Computac, Girona 17071, Catalonia, Spain

来源：

CHEMPHYSCHEM | 2006年 / 7卷 / 01期

关键词：

electrocyclic reactions; electron localization function; pericyclic reactions; transition states;

D O I：

10.1002/cphc.200500446

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：

(Figure Presented) Borderline cases: Differentiating between pericyclic and pseudopericyclic reactions is controversial. The authors analyze the electron distribution of the transition state of some known and some controversial reactions by means of the electron localization function (ELF) to elucidate their mechanism (see figure). This analysis provides a definitive criterion to distinguish between both electrocyclic processes. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：111 / 113

页数：3

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