LEWIS ACID SITES IN DIVALENT SILICON - QUANTUM CHEMICAL STUDY OF THE REACTION WITH CO

被引：0

作者：

ZAKHAROV, II

ZHIDOMIROV, GM

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来源：

KINETICS AND CATALYSIS | 1991年 / 32卷 / 01期

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中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A hypothesis concerning the structure of the adduct of the Lewis acid site R2Si with CO, in which the C = O bond is activated, was advanced based on a non-empirical quantum chemical calculation with consideration of the electron correlation. The important experimentally found shift in nu-CO (approximately 200 cm-1) to the low-frequency region of the IR spectrum can correspond to a bridge carbonyl with the dimeric structure of silylene according to our calculations.

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页码：27 / 31

页数：5

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