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.
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页码：136 / 140
页数：5
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