Non-innocent Additives in a Palladium(II)-Catalyzed C-H Bond Activation Reaction: Insights into Multimetallic Active Catalysts

被引：117

作者：

Anand, Megha ^{[1
]}

Sunoj, Raghavan B. ^{[2
]}

Schaefer, Henry F., III ^{[1
]}

机构：

[1] Univ Georgia, Ctr Computat Quantum Chem, Athens, GA 30602 USA

[2] Indian Inst Technol, Dept Chem, Bombay 400076, Maharashtra, India

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 136卷 / 15期

基金：

美国国家科学基金会;

关键词：

DINUCLEAR PALLADIUM COMPLEXES; CARBON; MECHANISM; FUNCTIONALIZATION; AMINATION; ARYLATION; ACETATE; ARENES; SP(2); STEREOSELECTIVITY;

D O I：

10.1021/ja412770h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The role of a widely employed additive (AgOAc) in a palladium acetate-catalyzed ortho-C-H bond activation reaction has been examined using the M06 density functional theory. A new hetero-bimetallic Pd-(mu-OAc)(3)-Ag is identified as the most likely active species. This finding could have far-reaching implications with respect to the notion of the active species in palladium catalysis in the presence of other metal salt additives.

引用

页码：5535 / 5538

页数：4

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