Satellite bands in the X-Ray Photoelectron spectrum of formaldehyde

Abstract

The energies and intensities of satellite bands in the X-ray photoelectron spectrum of formaldehyde have been calculated using molecular wave functions obtained from a combination of multi-configuration self-consistent field theory and configuration-mixing formalism. The intensities of monopole allowed shake-up processes have been obtained from the sudden approximation formula whose derivation by an alternative route is detailed. It is found that the satellite spectra of carbon and oxygen hole states are predicted to differ substantially; giving insight into the atomic orbital character of the molecular orbitals concerned. The significance of the appearance of satellite bands on a quantitative analytical use of X-ray photoelectron spectroscopy is pointed out. The possibilities and condition for the appearance of monopole forbidden valence shell shape-up processes is discussed.