Theoretical studies of atomic properties and chemical stabilities in acid solutions of element Uus (Z=117) and Astatine

Abstract

Multi-configuration Dirac-Fock (MCDF) method was employed to calculate the first five ionization potentials, electron affinities, resonance excitation energies, oscillator strengths and radii for the element Uus and its homologue At. Main valence correlation effects were taken into account. The Breit interaction and QED effects were also estimated. The uncertainties of calculated IPs, EAs and IR for Uus and At were reduced through an extrapolation procedure. The good consistency with available experimental and other theoretical values demonstrates the validity of the present results. These theoretical data were further used to predict the chemical stabilities of element Uus and At in acid solutions.