CNDO/2 molecular orbital calculations on the complexes formed between dimethylberyllium and aliphatic amines |
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Authors: | Z Latajka H Ratajczak K Romanowska Z Tomczak |
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Institution: | Institute of Chemistry, University of Wroc?aw, 50-383 Wroc?aw Poland;Institute of Physics, Technical University of Warsaw, 00-671 Warsaw Poland |
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Abstract: | A systematic CNDO/2 study has been carried out on the molecular complexes formed between dimethylberyllium and aliphatic amines. It has shown that the calculated molecular properties of these complexes, viz. the interaction energy, amount of charge transferred and the enhancement of the dipole moment are related to the ionization potential of the amine. The results are discussed in terms of the Mulliken's charge transfer theory. |
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