Ab initio studies on MCH2(OH) and CH3OM(M=H, -, Li, Na)

被引：0

作者：

Wang, YG ^{[1
]}

Sun, CJ ^{[1
]}

Bian, WS ^{[1
]}

Deng, CH ^{[1
]}

机构：

[1] Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China

来源：

CHEMICAL RESEARCH IN CHINESE UNIVERSITIES | 2000年 / 16卷 / 02期

关键词：

carbanion; carbenoid; ether; lithium; sodium;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

MCH2(OH) and CH3OM(M = -, Li, Na) were calculated by means of ab initio method at the MP2/6-31+G* level. The results show that the metals have the ability to localize charge on O in CH3OM(M = Li, Na). MCH2(OH) (M = Li, Na) has four possible structures, among which carbon-oxygen-bridged structure I is the most stable and observable kinetically. For MCH2(OH) (M = Li, Na), the existence of the metal increases the rigidity of the carbon configuration. This may be the reason why MCH2(OR) (M = Li, Na) is widely used in stereo-selective syntheses.

引用

页码：136 / 140

页数：5

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