The fine balance between one cross-coupling and two β-hydride elimination pathways: a DFT mechanistic study of Ni(π-allyl)2-catalyzed cross-coupling of alkyl halides and alkyl Grignard reagents

被引：14

作者：

Chass, Gregory A. ^{[1
,2
]}

Kantchev, Eric Assen B. ^{[1
]}

Fang, De-Cai ^{[1
,3
]}

机构：

[1] GIOCOMMS, Toronto, ON M5S 2L2, Canada

[2] Univ Wales, Sch Chem, Bangor LL57 2UW, Gwynedd, Wales

[3] Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China

来源：

CHEMICAL COMMUNICATIONS | 2010年 / 46卷 / 16期

基金：

英国工程与自然科学研究理事会;

关键词：

ETHYLENE POLYMERIZATION; COMPLEXES; CATALYSTS; ENERGIES; NICKEL; IMOMM; NI; PD;

D O I：

10.1039/b922326f

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The model cross-coupling of EtBr with EtMgCl mediated by Ni(pi-allyl)(2) proceeds by a catalytic cycle commencing with transmetalation establishing a novel Mg-allyl interaction, followed by Mg-assisted oxidative addition (the rate-determining step), followed by reductive elimination having much lower barrier than 2 competing beta-hydride elimination pathways, and completed by departure of MgBrCl.

引用

页码：2727 / 2729

页数：3

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