DETAILED THEORETICAL-ANALYSIS OF THE 1,7-SIGMATROPIC HYDROGEN SHIFT - THE MOBIUS CHARACTER OF THE 8-ELECTRON TRANSITION STRUCTURE

被引：75

作者：

JIAO, HJ ^{[1
]}

SCHLEYER, PV ^{[1
]}

机构：

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

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 1993年 / 32卷 / 12期

关键词：

D O I：

10.1002/anie.199317631

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Pronounced aromatic character is found in the helical transition structure 1 for the 1,7 H shift in (Z,Z)‐1,3,5‐heptatriene according to ab initio calculations. The CC bond lengths are similar to those in benzene, the 1H NMR shifts (IGLO calculations) indicate strong ring current effects, and the energy of concert (roughly 60 kcal mol −1) is the highest reported for any pericyclic reaction. (Figure Presented.) Copyright © 1993 by VCH Verlagsgesellschaft mbH, Germany

引用

页码：1763 / 1765

页数：3

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