Satellite intensities in ESCA spectra of Ti(IV) fluoro- and oxocomplexes calculated by the multiple scattering and indo methods

Abstract

Satellite intensities in the ESCA spectra of Ti(IV) compounds are calculated by the multiple scattering and indo cluster methods using a formula based on the sudden approximation. Only the next-nearest-neighbours (O or F) were included. The multiple scattering results indicate that both eg → e*g and t*2g → t*2g shake-up excitations contribute to the intensity of the satellite, whereas the indo results suggest that only eg → e*g contribute. A new result, and the most important one, is that the intensity ratio for the 3s satellite is as much as 50–70% of the intensity ratio for the 2p satellite.