Ab initio molecular orbital calculations on the pyrazine-lithium ion pair |
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| Authors: | A. Hinchliffe J. C. Cobb A. J. Duke |
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| Affiliation: | 1. Chemistry Department, U.M.I.S.T., M60 1QD, Manchester, England
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| Abstract: | The results of ab initio molecular orbital calculations are presented for the pyrazine?/Li+ ion pair. It is shown that the lowest energy conformation is where the lithium occupies a position in the plane of the pyrazine ring, along the C 2 axis passing through the nitrogen atoms. |
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