C1S AND O1S GAS-PHASE SHAKE-UP SPECTRA FROM MO(CO)(6)

Experimental high-resolution core photoelectron C1s and O1s shake-up s pectra of molybdenum hexacarbonyl, Mo(CO)(6), are reported and compare d with results of semiempirical INDO/CI calculations. Several hitherto unobserved peaks are identified and assigned. It is found that an int ra- and inter-group classification can be used to describe the transit ions. The transitions of lowest energy have Mo-CO inter-group characte r. Dynamical effects on the line widths of the experimental shake-up p eaks are discussed. A discussion of the relevance of experimental resu lts obtained for the Mo(CO)(6)e for CO adsorption on metal surfaces is presented.