THE COPE REARRANGEMENT TRANSITION STRUCTURE IS NOT DIRADICALOID, BUT IS IT AROMATIC

被引：128

作者：

JIAO, HJ ^{[1
]}

SCHLEYER, PV ^{[1
]}

机构：

[1] UNIV ERLANGEN NURNBERG,COMP CHEM CENTRUM,INST ORGAN CHEM 1,D-91054 ERLANGEN,GERMANY

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1995年 / 34卷 / 03期

关键词：

AB INITIO; CALCULATIONS; COPE REARRANGEMENTS; REACTION MECHANISMS;

D O I：

10.1002/anie.199503341

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

IGLO computations reveal the aromatic character of the transition structures 1 a and 1 b for the Cope rearrangement of 1,5‐hexadiene. In addition, high‐level ab initio calculations favor a synchronous concerted mechanism via intermediates not having sigificant diradicaloid character. (Figure Presented.) Copyright © 1995 by VCH Verlagsgesellschaft mbH, Germany

引用

页码：334 / 337

页数：4

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