Electronic Properties of Sulphur Hexafluoride. II. Molecular Orbital Interpretation of Its X-Ray Absorption Spectra

Abstract

The unusual behavior of the sulphur hexafluoride spectra in the x‐ray region is discussed and interpreted within the framework of a MO‐LCAO description of the molecular wavefunction. Single‐ and double‐excitation processes from inner and outer orbitals are suggested to take place during the x‐ray absorption and calculated energies are compared with experimentally observed peaks. A qualitative general agreement of the fitting with the measured data seems to indicate that such processes are very likely to happen in large, multielectron, molecular systems.