A DFT study on hetero-Diels-Alder reactions catalyzed by cobalt complexes: Lewis acidity enhancement as a consequence of spin transition caused by lewis base coordination

被引：35

作者：

Iwakura, I ^{[1
]}

Ikeno, T ^{[1
]}

Yamada, T ^{[1
]}

机构：

[1] Keio Univ, Dept Chem, Kohoku Ku, Yokohama, Kanagawa 2238522, Japan

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2005年 / 44卷 / 17期

关键词：

cobalt; cycloaddition; density functional calculations; Lewis acids; spin crossover;

D O I：

10.1002/anie.200460836

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Chemical Equation Presented) Density functional calculations on the hetero-Diels-Alder reaction catalyzed by 3-oxobutylideneaminatocobalt(II) and -cobalt(III) complexes revealed that axial coordination of an aldehyde as a Lewis base induces a spin transition in the CoIII catalytic cycle. The Lewis acidity of the complex is increased, the Co-Oaldehyde distance shortened (see picture; Co green, N blue, O red), and the enantioselectivity improved. © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：2524 / 2527

页数：4

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