Electron affinities for highly charged groups 15 and 16 anions

Abstract

Electron affinity, electronegativity, and electrophilicity are chemical concepts that have been related to electron accepting power of chemical species. In the literature, although there are many theoretical approaches proposed to calculate the electronegativity and electrophilicity of atoms, ions, and molecules, just a few approaches suggested are related to the prediction of sequential electron affinities of atoms. In the present work, the electron affinities for highly charged groups 15 and 16 anions are calculated by the semi-empirical (PM6) method. The obtained values are compared with those from literature. So far, the authors are concerned, the third and fourth electron affinities for S, P, As and Sb are calculated for the first time. It is well-known that in the calculation of the lattice energy of any inorganic ionic crystal via Born-Haber thermochemical cycle, many parameters regarding any crystal the atoms forming the crystal are considered. One of these parameters is electron affinity. It should be noted that our electron affinity values calculated are in good agreement with both experimental data, other theoretical approaches, and the data obtained in the light of the Born- Haber cycle.