Collect. Czech. Chem. Commun. 1982, 47, 1479-1485

On definition of electronegativity within the framework of MO methods

Robert Ponec

Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol


The possibility of generalization of the electronegativity concept to valence states of atom in molecule has been studied by semiempirical CNDO and INDO approximations. It is shown that the concept of electronegativity as the property of a given atom in molecule can be defined only on the basis of the simplest CNDO approximation.