Use of the multiple-scattering method for calculating the asymmetry parameter in the angle-resolved photoelectron spectroscopy of N2, CO, CO2, COS, and CS2

Abstract

Calculations based on the multiple-scattering method have been performed for the asymmetry parameter (β) as a function of photon energy (from the ionization threshold to 2 Ry above threshold) for the gaseous molecules: N2, CO, CO2, COS, and CS2. For the diatomic molecules N2 and CO we have investigated the use of an overlapping spheres transition state model. The calculations were critically compared with experimental data in the literature. In addition, we have carried out angle-resolved photoelectron spectroscopy on the five molecules using a polarized source of He(i) radiation. Although the calculations show in general good predictive capability, there are also several instances where these calculations seem inadequate and suggestions are made for future work.