K-edge x-ray absorption spectra in an octahedral environment. A theoretical and experimental study of Mo(CO)6

Abstract
We report measurements of the K-edge photoabsorption spectrum of the octahedral complex Mo(CO)6 and a theoretical calculation of this spectrum using the self-consistent-field Xα multiple-scattered-wave approach. Two strong absorption peaks near threshold are shown to lie in the continuum region of the spectrum and to be of "shape resonance" character.