Molecular Orbital Interpretation of X-Ray Emission Spectra: Simple Hydrocarbons and Carbon Oxides

Abstract

The carbon x-ray emission spectra of CH4, C2H2, C2H4, C2H6, C3H8, C6H6, CO, and CO2 obtained by Mattson and Ehlert are considered. The main parts of these spectra are shown to relate to the same ionized states as are observable by photoelectron spectroscopy, and generally may be interpreted with the help of molecular orbital theory. A simplified calculation of relative x-ray intensities based on extended Hückel wavefunctions gives good results for the compounds studied. Remaining structures on the high-energy side of the spectra are attributed to Wentzel–Druyvesteyn satellites.