Gold(I) or gold(III) as active species in AuCl3-catalyzed cyclization/cycloaddition reactions?: A DFT study

被引：108

作者：

Straub, BF ^{[1
]}

机构：

[1] Univ Munich, Dept Chem, D-81377 Munich, Germany

来源：

CHEMICAL COMMUNICATIONS | 2004年 / 15期

关键词：

D O I：

10.1039/b404876h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In a B3LYP mechanistic study, AuCl and AuCl3 catalysts feature similar overall barriers for a reaction sequence of 2-ethynyl benzaldehyde and ethyne to 1-naphthyl carbaldehyde, comprising cyclization, [3+2] cycloaddition, and two rearrangements.

引用

页码：1726 / 1728

页数：3

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