Interpretative methods in photoelectron spectroscopy

Abstract

A comparative study has been made of the application of semi-empirical (CNDO/2 and INDO) and ab initio molecular orbital methods to the assignment of peaks in the low energy photoelectron spectra of pseudohalides. Correlations of lone pair ionization potentials with molecular moments have been investigated for molecules containing halogen and phosphorus atoms and a point charge potential model applied to phosphorus lone pairs in some phosphines.