C1s and O1s gas phase shake-up spectra from Mo(CO) 6

Abstract

Experimental high-resolution core photoelectron C1s and O1s shake-up spectra of molybdenum hexacarbonyl, MO(CO) 6, are reported and compared with results of semiempirical INDO/CI calculations. Several hitherto unobserved peaks are identified and assigned. It is found that an intra- and inter-group classification can be used to describe the transitions. The transitions of lowest energy have Mo-CO inter-group character. Dynamical effects on the line widths of the experimental shake-up peaks are discussed. A discussion of the relevance of experimental results obtained for the MO(CO) 6 molecule for CO adsorption on metal surfaces is presented.