The Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs Revisited

被引：380

作者：

Grimme, Stefan ^{[1
]}

Kruse, Holger ^{[1
]}

Goerigk, Lars ^{[1
,2
]}

Erker, Gerhard ^{[1
]}

机构：

[1] Univ Munster, Inst Organ Chem, D-48149 Munster, Germany

[2] NRW Grad Sch Chem, D-48149 Munster, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 08期

关键词：

frustrated Lewis pairs; hydrogen activation; quantum chemical calculations; reaction mechanisms; CATALYTIC-HYDROGENATION; REACTIVITY; CARBENE;

D O I：

10.1002/anie.200905484

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

("Figure Presented") A new picture of H2 activation is given by state-of-the-art quantum chemical calculations of potential energy surfaces and transition states and a thorough theoretical analysis. Key factors for activation of H2 and other small molecules by so-called frustrated Lewis pairs (FLP) are entrance (preparation) steps and the electric field strength inside the FLP cavity. © 2010 Wiley-VCH Verlag GmbH &. Co. KGaA,.

引用

页码：1402 / 1405

页数：4

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