Computation of atomic electronegativity values using atomic and covalent potential: a FSGO based study

Abstract

This work presents new scales to compute atomic electronegativity values based on atomic and covalent potential. The proposed models have been developed using the Floating Spherical Gaussian Orbital method. Results are consistent with the trends of periodicity. Computed results exhibit a good correlation with some of the already existing scales. The electronegativity Equalization Principle is well established through our computed molecular electronegativity values. The reliability of newly proposed scales is further examined in terms of computation of internuclear bond distances and Fermi energies.