Cycloaddition of o-benzyne to benzene and the inner phase of a hemicarcerand

被引：27

作者：

Beno, BR ^{[1
]}

Sheu, CM ^{[1
]}

Houk, KN ^{[1
]}

Warmuth, R ^{[1
]}

Cram, DJ ^{[1
]}

机构：

[1] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA

来源：

CHEMICAL COMMUNICATIONS | 1998年 / 03期

关键词：

D O I：

10.1039/a707671a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Becke3LYP/6-31G* calculations predict a small energy of concert for the Diels-Alder reaction of o-benzyne with benzene, and force-field calculations indicate that steric interactions and transannular strain are responsible for the regiospecificity of the Diels-Alder reaction between o-benzyne and its host hemicarcerand.

引用

页码：301 / 302

页数：2

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