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Generalization of electronegativity concept

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Abstract

A generalization of the original method introduced by Hinze and Jaffé for calculating the orbital electronegativities is proposed. This generalization is based on a new energy partitioning scheme within the framework of CNDO approximation and permits the orbital electronegativities to be calculated for atoms in actual valence states in which they occur in real molecules.

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  1. Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02, Prague 6, Suchdol, Czechoslovakia

    Robert Ponec

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  1. Robert Ponec
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Ponec, R. Generalization of electronegativity concept. Theoret. Chim. Acta 59, 629–637 (1981). https://doi.org/10.1007/BF00552856

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