1979The Journal of Chemical PhysicsRequires access

Some relations between electronic distribution and electronegativity

Peter A. Politzer, Harel Weinstein

Open publisher page 160 citations

Abstract

Some important electronegativity concepts, which have recently been given a precise and rigorous basis by Parr and his collaborators in terms of density functional theory, are here deduced from two different physical models of a molecule, without specifying any particular theoretical framework. The principle of electronegativity (or chemical potential) equalization is reaffirmed as is the dependence of the direction of electronic charge migration upon electronegativity difference. These concepts are then generalized to any arbitrary portions of the total number of electrons in a system.

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What this paper is about

Some important electronegativity concepts, which have recently been given a precise and rigorous basis by Parr and his collaborators in terms of density functional theory, are here deduced from two different physical models of a molecule, without specifying any particular theoretical framework. The principle of electronegativity (or chemical potential) equalization is reaffirmed as is the dependence of the direction of electronic charge migration upon electronegativity difference. These concepts are then generalized to any arbitrary portions of the total number of electrons in a system.

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Available abstract

Some important electronegativity concepts, which have recently been given a precise and rigorous basis by Parr and his collaborators in terms of density functional theory, are here deduced from two different physical models of a molecule, without specifying any particular theoretical framework. The principle of electronegativity (or chemical potential) equalization is reaffirmed as is the dependence of the direction of electronic charge migration upon electronegativity difference. These concepts are then generalized to any arbitrary portions of the total number of electrons in a system.

Key concepts: Electronegativity, Formal charge, Basis (linear algebra), Charge density, Density functional theory, Electron, Charge (physics), Statistical physics

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