1999•Phosphorus, sulfur, and silicon and the related elementsRequires access

A New Approach to Theoretical Calculation of Group Electronegativities and its Application for Organoelement Reactivity

Artem Cherkasov, V. I. Galkin, R. А. Cherkasov

Abstract

The relationship between the structure and reactivity of compounds is one of the basic problems of organic and organoelement chemistry. On the basis of previously suggested models of steric and inductive substituents effects [1,2] a new theoretical approach has been elaborated which allows to calculate theoretically a numerous atomic and group descriptors called “inductive” reactivity indexes which can be used for the quantitative interpretation of reactivity and physical-chemical properties of various organic and organoelement – organophosphorus in particular – derivatives.

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Key concepts: Reactivity (psychology), Electronegativity, Steric effects, Computational chemistry, Chemistry, Interpretation (philosophy), Group (periodic table), Basis (linear algebra)