INVESTIGATION OF THE VALENCE SHELL ELECTRONIC STRUCTURE OF ALKALINE EARTH HALIDES BY USING AB INITIO S. C. F. CALCULATIONS AND PHOTOELECTRON SPECTROSCOPY.

Photoelectron spectra of the chlorides, bromides and iodides of the gas phase group IIA have been recorded by the use of a molecular beam technique. The electronic structure of these elements was studied by the high temperature photoelectron spectroscopy, supported by ab initio calculations. Ab initio s. c. f. m. o. calculations were carried out for the lighter members of the group and the calculated ionization potentials allowing for the effects os spin-orbit coupling compared with those obtained from the spectra. In this way valence shell electronic configurations for the molecules studied were determined. Evidence for a nonlinear geometry of the heavier metal halides is also discussed.