MCH 2(OH) and CH 3OM(M=-, Li, Na) were calculated by means of ab initio method at the MP2/631+G* level. The results show that the metals have the ability to localize charge on O in CH 3OM(M= Li, Na). MCH 2(OH)(M=L...MCH 2(OH) and CH 3OM(M=-, Li, Na) were calculated by means of ab initio method at the MP2/631+G* level. The results show that the metals have the ability to localize charge on O in CH 3OM(M= Li, Na). MCH 2(OH)(M=Li, Na) has four possible structures, among which carbonoxygenbridged structure 1 is the most stable and observable kinetically. For MCH 2(OH)(M=Li, Na), the existence of the metal increases the rigidity of the carbon configuration. This may be the reason why MCH 2(OR)(M=Li, Na) is widely used in stereoselective syntheses.展开更多
基金Supported by the National Natural Science Foundation of China(No. 29503019,29773025) and the Chinese Uni-versity Doctoral Foun
文摘MCH 2(OH) and CH 3OM(M=-, Li, Na) were calculated by means of ab initio method at the MP2/631+G* level. The results show that the metals have the ability to localize charge on O in CH 3OM(M= Li, Na). MCH 2(OH)(M=Li, Na) has four possible structures, among which carbonoxygenbridged structure 1 is the most stable and observable kinetically. For MCH 2(OH)(M=Li, Na), the existence of the metal increases the rigidity of the carbon configuration. This may be the reason why MCH 2(OR)(M=Li, Na) is widely used in stereoselective syntheses.
