<Emphasis Type="Italic">Ab initio</Emphasis> investigation of aniline and <Emphasis Type="Italic">n</Emphasis>-propylamine associates with dimethylsulfoxide,isobutyronitrile, and N-methylpiperidone |
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| Authors: | I A Novakov V V Korolkov A I Pavlyuchko L A Gribov |
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| Institution: | (1) V. I. Vernadsky Institute of Geochemistry and Analytical Chemistry, Moscow;(2) Volgograd State Technological University, Russia |
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| Abstract: | The structure of the dimer associates of aniline and n-propylamine with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone was investigated by ab initio calculations. Stable configurations of the complexes and their structural and energy characteristics have been determined. The effects of the nature of the solvent and the structure of the associate on the properties of the NH2 group are examined. |
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| Keywords: | aniline n-propylamine reactivity intermolecular complexes hydrogen bond |
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