Some relations between electronic distribution and electronegativity
Peter A. Politzer, Harel Weinstein
Abstract
Peter A. Politzer, Harel Weinstein
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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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