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. shu

AB INITIO STUDIES ON THE INTERACTION BETWEEN CH₃OH AND H₂CO

Chemistry Department Beijing Normal University Beijing 100875

Received Date: 16 November 1989

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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