Ab Initio Studies on MCH2(OH) and CH3OM(M=H, -, Li, Na)

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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. The results show that the metals have the ability to localize charge on O in (M = -, Li, Na) were calculated by means of ab initio method at the MP2 / 631 + G * level. 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.
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