Predictive Ionization Cross Section Model for Inorganic Molecules

摘要

To address a long-standing lack of experimental data for electron impactionization cross sections for inorganic molecules, or the availability of a reliable predictive method, we have developed a modified classical model. The model relies on the known or expected ionic bonding character of most inorganic and, particularly, of high temperature molecules. Based on isoelectronic analogy, use is made of available cross section data for the elements, together with known or readily calculated ionization potentials for the molecules of interest. Very good agreement is found for several of the species considered here and elsewhere using the more extensive and primarily ab initio binary-encounter Bethe model. Good overall agreement is also found with experimental results for fifty-one species, with up to ten constituent atoms.