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Quantum chemical study of the structure of thioformaldehyde S,S-dioxide and the possibility of its isomerization into an ylid

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Abstract

Thioformaldehyde S,S-dioxide (sulfene) has a highly reactive C=S bond. The estimation of the length and strength of this bond depends largely on the quantum chemical approximation selected. In comparison with ab initio schemes, the use of semiempirical MINDO/3, MNDO, AM1, and PM3 schemes involves difficulties related to the parameters for sulfur.

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Authors and Affiliations

  1. L. M. Litvinenko Institute of Physical Organic and Coal Chemistry, National Academy of Sciences of Ukraine, 70 R. Lyuksemburg ul., 340114, Donetsk, Ukraine

    S. N. Lyashchuk & Yu. G. Skrypnik

  2. Food Chemistry and Biotechnology Faculty, Technical University, 4/10 Stefanowski St., 90-924, Lodz, Poland

    S. Wysocki

Authors
  1. S. N. Lyashchuk
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  2. Yu. G. Skrypnik
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  3. S. Wysocki
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Additional information

Translated from Teoreticheskaya i Éksperimental’naya Khimiya, Vol. 35, No. 1, pp. 35–38, January–February, 1999.

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Lyashchuk, S.N., Skrypnik, Y.G. & Wysocki, S. Quantum chemical study of the structure of thioformaldehyde S,S-dioxide and the possibility of its isomerization into an ylid. Theor Exp Chem 35, 37–39 (1999). https://doi.org/10.1007/BF02511125

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  • DOI: https://doi.org/10.1007/BF02511125

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