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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References
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Original Russian Text Copyright © 2005 by I. A. Novakov, V. V. Korolkov, A. I. Pavlyuchko, and L. A. Gribov
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Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 1, pp. 161–165, January–February, 2005.
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Novakov, I.A., Korolkov, V.V., Pavlyuchko, A.I. et al. Ab initio investigation of aniline and n-propylamine associates with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone. J Struct Chem 46, 159–163 (2005). https://doi.org/10.1007/s10947-006-0023-3
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DOI: https://doi.org/10.1007/s10947-006-0023-3