Abstract
A comparative ab initio quantum chemical study of methanol interaction with potassium and rubidium hydroxides surrounded by DMSO molecules is performed. The reaction profiles of the formation of a nucleophilic particle in the direct interaction of methanol with an undissociated molecule of alkali metal hydroxide are considered. The levels of the description of the reacting system by different cluster continuum models are compared.
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Original Russian Text Copyright © 2011 by N. M. Vitkovskaya, E. Yu. Larionova, N. V. Kaempf, V. B. Kobychev, and B. A. Trofimov
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Translated from Zhurnal Strukturnoi Khimii, Vol. 52, No. 4, pp. 674–680, July–August, 2011.
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Vitkovskaya, N.M., Larionova, E.Y., Kaempf, N.V. et al. Methanol interaction with potassium and rubidium hydroxides in dimethyl sulfoxide. J Struct Chem 52, 652–658 (2011). https://doi.org/10.1134/S0022476611040020
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DOI: https://doi.org/10.1134/S0022476611040020