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Electronic structure and properties of pyridyl- and quinolylamines

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Chemistry of Heterocyclic Compounds Aims and scope

Abstract

The π -electron structures and spectra corresponding to singlet -singlet π-π transitions of neutral and protonated pyridyl- and quinolylamine molecules were calculated by the MO LCAO method within the semiempirical Pariser-Parr-Pople approximation with allowance for configuration interaction. It is shown that the π -electron density distribution explains the different directions of nucleophilic and electrophilic substitution reactions in the neutral and protonated heterocycle molecules. It is concluded that the character of protonation of amino-substituted quinolines is distinct.

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Authors and Affiliations

  1. T. G. Shevchenko Kiev State University, USSR

    L. I. Savranskii

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  1. L. I. Savranskii
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 520–524, April, 1972.

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Savranskii, L.I. Electronic structure and properties of pyridyl- and quinolylamines. Chem Heterocycl Compd 8, 473–476 (1972). https://doi.org/10.1007/BF00477426

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  • DOI: https://doi.org/10.1007/BF00477426

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