Turning frustration into bond activation:: a theoretical mechanistic study on heterolytic hydrogen splitting by frustrated Lewis pairs

被引：333

作者：

Rokob, Tibor Andras ^{[1
]}

Hamza, Andrea ^{[1
]}

Stirling, Andras ^{[1
]}

Soos, Tibor ^{[1
]}

Papai, Imre ^{[1
]}

机构：

[1] Hungarian Acad Sci, Chem Res Ctr, H-1025 Budapest, Hungary

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2008年 / 47卷 / 13期

关键词：

donor-acceptor systems; hydrogenation; quantum chemistry; reaction mechanisms;

D O I：

10.1002/anie.200705586

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) Just before splitting: A mechanistic model has been proposed for H2 activation by sterically demanding phosphine-borane Lewis pairs. There is theoretical evidence for noncovalent intermolecular association of donor-acceptor molecules to form a flexible but energetically strained complex, which provides preorganized active centers for heterolytic H-H bond cleavage (see picture). © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：2435 / 2438

页数：4

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