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.

引用

页码：542 / 547

页数：5

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