引用本文:
De Cai FANG, Xiao Yuan FU. AB INITIO STUDIES ON THE INTERACTION BETWEEN CH3OH AND H2CO[J]. Chinese Chemical Letters,
1990, 1(1): 17-18.
Citation: De Cai FANG, Xiao Yuan FU. AB INITIO STUDIES ON THE INTERACTION BETWEEN CH3OH AND H2CO[J]. Chinese Chemical Letters, 1990, 1(1): 17-18.
Citation: De Cai FANG, Xiao Yuan FU. AB INITIO STUDIES ON THE INTERACTION BETWEEN CH3OH AND H2CO[J]. Chinese Chemical Letters, 1990, 1(1): 17-18.
AB INITIO STUDIES ON THE INTERACTION BETWEEN CH3OH AND H2CO
摘要:
The interaction between CH3OH and H2CO has been studied by abinitio method (6-311G basis set).It has been found that there are twopossible complexes:(Ⅰ)H-bond BrÖnsted complex CH3OH...OCH2(Ⅱ)Donorscceptor Lewis complex CH3OH...CH2P.HF/6-311G stabilization energiesfor complex(Ⅰ)and complex(Ⅱ)are 25.1 and 17.1 kJ/mol respectively.
English
AB INITIO STUDIES ON THE INTERACTION BETWEEN CH3OH AND H2CO
Abstract:
The interaction between CH3OH and H2CO has been studied by abinitio method (6-311G basis set).It has been found that there are twopossible complexes:(Ⅰ)H-bond BrÖnsted complex CH3OH...OCH2(Ⅱ)Donorscceptor Lewis complex CH3OH...CH2P.HF/6-311G stabilization energiesfor complex(Ⅰ)and complex(Ⅱ)are 25.1 and 17.1 kJ/mol respectively.
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