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Interaction of methanol, methanthiol, and acetoxime with potassium and rubidium hydroxides in dimethyl sulfoxide

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Abstract

An ab initio quantum chemical study of the reaction profiles of the nucleophile particle formation in the interaction of methanol, methanthiol, and acetoxime with an undissociated molecule of alkali metal hydroxide is performed for the gas phase and also with the explicit inclusion of a dimethyl sulfoxide molecule into the calculation and with allowance made for solvation effects within the continuum model.

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Authors and Affiliations

  1. Irkutsk State University, Irkutsk, Russia

    N. M. Vitkovskaya, E. Yu. Larionova, N. V. Kaempf, V. B. Kobychev, A. D. Skitnevskaya & V. B. Orel

  2. A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Division, Russian Academy of Sciences, Irkutsk, Russia

    B. A. Trofimov

Authors
  1. N. M. Vitkovskaya
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  2. E. Yu. Larionova
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  3. N. V. Kaempf
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  4. V. B. Kobychev
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  5. A. D. Skitnevskaya
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  6. V. B. Orel
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  7. B. A. Trofimov
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Corresponding author

Correspondence to E. Yu. Larionova.

Additional information

Original Russian Text Copyright © 2011 by N. M. Vitkovskaya, E. Yu. Larionova, N. V. Kaempf, V. B. Kobychev, A. D. Skitnevskaya, V. B. Orel, and B. A. Trofimov

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Translated from Zhurnal Strukturnoi Khimii, Vol. 52, No. 4, pp. 681–685, July–August, 2011.

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Vitkovskaya, N.M., Larionova, E.Y., Kaempf, N.V. et al. Interaction of methanol, methanthiol, and acetoxime with potassium and rubidium hydroxides in dimethyl sulfoxide. J Struct Chem 52, 659 (2011). https://doi.org/10.1134/S0022476611040032

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  • DOI: https://doi.org/10.1134/S0022476611040032

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