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Electronegativity and inductive and mesomeric parameters of atomic groups: A semiempirical quantum chemical estimation

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Abstract

The electronegativity, the inductive parameter, and the mesomeric dipole moments of substituents depend on the electronic structure characteristics of organic molecules calculated by the CNDO/2, INDO, MINDO, MINDO/3, MNDO, and AMI methods. It is shown that the electronegativity as well as the inductive and mesomeric characteristics of atomic groups may be estimated by semiempirical quantum chemical methods.

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  1. N. G. Chernyshevskii Saratov State University, Russia

    A. N. Pankratov & A. E. Shchavlev

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  1. A. N. Pankratov
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  2. A. E. Shchavlev
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Pankratov, A.N., Shchavlev, A.E. Electronegativity and inductive and mesomeric parameters of atomic groups: A semiempirical quantum chemical estimation. J Struct Chem 40, 855–861 (1999). https://doi.org/10.1007/BF02700691

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  • DOI: https://doi.org/10.1007/BF02700691

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