Ab initio Hartree–Fock–Slater calculations of polysulfanes H2Sn (n = 1–4) and the ions HS and S

An ab initio Hartree–Fock–Slater procedure was applied to the calculation of the electronic structure of polysulfanes, H₂S_n (n = 1–4) and the ions HS and S. Charge densities, overlap populations, and deprotonation energies are calculated; the latter appear well correlated with the first and second acidity constants.