Simulation of the mechanism of styrene carbonylation in the presence of palladium(II) complexes

被引：0
|
作者：
A. L. Lapidus
O. L. Eliseev
L. T. Kondrat’ev
N. V. Zvyagintsev
机构：
[1] Russian Academy of Sciences,Zelinskii Institute of Organic Chemistry
[2] Russian State University of Tourism and Service,undefined
来源：
Kinetics and Catalysis | 2010年 / 51卷
关键词：
Styrene; Quantum Chemical Method; Chloride Anion; Complex IIIa; Migratory Insertion;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The mechanism of styrene carbonylation in the presence of a palladium(II) complex has been investigated by quantum chemical methods. The migratory insertion of styrene into the palladium-hydrogen bond of hydride π-complexes is considered in detail. This process determines the regioselectivity of the reaction.
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页码：542 / 547
页数：5
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