MAGNETIC-PROPERTIES OF AROMATIC TRANSITION-STATES - THE DIELS-ALDER REACTIONS

被引：0
作者：
HERGES, R
JIAO, HJ
SCHLEYER, PV
机构：
[1] Computer‐Chemie‐Centrum, Institut Für Organische Chemie, Universität Erlangen-Nürnberg, Erlangen, D-91054
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1994年 / 33卷 / 13期
关键词：
D O I：
10.1002/anie.199413761
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Changes in magnetic properties along the reaction coordinate of the Diels–Alder reactions of ethylene with butadiene and cyclopentadiene were computed ab initio with the IGLO method. Evidence for the aromaticity of the transition structures is provided by exalted magnetic susceptibilities and anisotropies, as well as chemical shift anomalies. Copyright © 1994 by VCH Verlagsgesellschaft mbH, Germany
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页码：1376 / 1378
页数：3
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