Theoretical estimation of the maximal value of the first, second and higher electron affinity of chemical compounds

Abstract

A method for an estimation of the maximal values of the first, second, third, and higher electron affinities (EAs) of chemcial compounds is suggested. The estimation is based on the known data of energies of the highest occupied nonbonding molecular orbitals of anions. The maximal EA values for the MF k compounds are estimated for every k from the results of quantum chemical calculations. It is found that hexafluorides may possess a second positive EA; i.e., their doubly charged anions may, in principle, be stable to the loss of an electron in anisolated state