A Molecular Orbital Study on the (CH_3)_2O-BH_3 Donor-Acceptor Complex
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概要
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A molecular orbital study on the donor-acceptor complex of (CH_3)_2O-BH_3 was performed, in comparison with the (CH_3)_2N-BH_3 complex. The driving force for (CH_3)_2O-BH_3 complex formation was electrostatic interaction energy. The interaction energy between (CH_3)_2O and BH_3 was smaller than that between NH_3 and BH_3 by 10.5 kcal/mol due to a difference between the electrostatic terms. In the optimized structure of (CH_3)_2O-BH_3,the distance γ (OB) was 1.65412 Å. The angle∠BOY, where Y is a point on the C_<2V> axis of (CH_3)_2O, was 152.8°. The results are in agreement with the electron diffraction analyses of (CH_3)_2O-BF_3 reported by Shibata and Iijima.
- 社団法人日本薬学会の論文
- 1980-05-25
著者
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梅山 秀明
School of Pharmaceutical Sciences, Kitasato University
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梅山 秀明
School Of Pharmaceutical Sciences Kitasato University
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