Collect. Czech. Chem. Commun.
2005, 70, 550-558
https://doi.org/10.1135/cccc20050550
Electronegativity and Average Local Ionization Energy
Peter Politzer*, Jane S. Murray and M. Edward Grice
Department of Chemistry, University of New Orleans, New Orleans, LA 70148, U.S.A.
Abstract
A variation of an earlier formulation of electronegativity by Allen, as the average valence electron ionization energy of a ground-state atom, is proposed. It is shown that the calculated average local ionization energies on the 0.001 a.u. electronic density contours of atoms correlate very well with Allen's values. Our procedure makes it unnecessary to enumerate valence electrons, which can be a problem due to interpenetration of shells.
Keywords: Electron affinity; Ionization potential; Valence electrons; Configuration energy; Atomic surfaces; Electronegativity.
References: 54 live references.
