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Effect of the electronic structure of the heteroatom on the basicities of heterocyclic compounds

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Chemistry of Heterocyclic Compounds Aims and scope

Abstract

The proton-acceptor capacities of heterocyclic nitrogen compounds (pyridine, pyrazine, pyrimidine, and some of their derivatives) were subjected to a theoretical study by means of the molecular electrostatic-potential method. The wave functions of the examined compounds were obtained by the INDO method. It was found that the difference in the proton-acceptor capacities of the examined compounds is due to the difference in the electronic structures of the unshared pairs of the most basic atoms in these compounds.

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Authors and Affiliations

  1. V. D. Kuznetsov Siberian Physicotechnical Institute, Tomsk State University, 634050, Tomsk

    I. V. Sokolova & L. V. Orlovskaya

Authors
  1. I. V. Sokolova
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  2. L. V. Orlovskaya
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1079–1083, August, 1981.

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Sokolova, I.V., Orlovskaya, L.V. Effect of the electronic structure of the heteroatom on the basicities of heterocyclic compounds. Chem Heterocycl Compd 17, 800–804 (1981). https://doi.org/10.1007/BF00503662

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  • DOI: https://doi.org/10.1007/BF00503662

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