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Calculation of β,β-dichlorovinyl ketones by cndo/2 method

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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    The SCF MO LCAO method as the CNDO/2 approximation was used to calculate a number of β,β-dichlorovinyl ketones C12C=CH-CO-R; the conformational equilibrium for β,β-dichlorovinyl methyl ketone was estimated.

  2. 2.

    The relation between the electronic structure of β,β-dichlorovinyl ketones and their35Cl NQR spectra and the data on their reactivity was discussed.

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Literature cited

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Authors and Affiliations

  1. Irkutsk Institute of Organic Chemistry, Siberian Branch of the Academy of Sciences of the USSR, USSR

    B. A. Shainyan, G. G. Levkovskaya & A. N. Mirskova

Authors
  1. B. A. Shainyan
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  2. G. G. Levkovskaya
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  3. A. N. Mirskova
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 4, pp. 934–938, April, 1978.

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Shainyan, B.A., Levkovskaya, G.G. & Mirskova, A.N. Calculation of β,β-dichlorovinyl ketones by cndo/2 method. Russ Chem Bull 27, 808–812 (1978). https://doi.org/10.1007/BF00925315

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  • DOI: https://doi.org/10.1007/BF00925315

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