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Evaluation of the reactivity of new activated difluoroaromatic compounds

  • Physical Chemistry
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Russian Chemical Bulletin Aims and scope

Abstract

To evaluate the reactivity of new difluroroaromatic compounds in nucleophilic substitution, the positive charges on carbon atoms of C−F bonds were calculated using the quantum-chemical semiempirical PM3 method. A correlation between the charges calculated and the chemical shifts in the19F NMR spectra was established.

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Authors and Affiliations

  1. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation

    A. L. Rusanov & M. L. Keshtov

  2. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation

    S. V. Keshtova

Authors
  1. A. L. Rusanov
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  2. M. L. Keshtov
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  3. S. V. Keshtova
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Additional information

Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 623–625, April, 1998.

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Rusanov, A.L., Keshtov, M.L. & Keshtova, S.V. Evaluation of the reactivity of new activated difluoroaromatic compounds. Russ Chem Bull 47, 602–603 (1998). https://doi.org/10.1007/BF02495961

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  • DOI: https://doi.org/10.1007/BF02495961

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