Atomic multiplets at the L2,3 edge of 3d transition metals and the ligand K edge in x-ray absorption spectroscopy of ionic systems

Experimental X-ray absorption spectra at the fluorine K and transition metal L-2,L-3 absorption edges of the MF2 (M = Cr-Ni) family are presented. Ligand field calculations in D-4h symmetry show very good agreement with the transition metal L-2,L-3 XAS spectra. To successfully explain nominal Cr2+ L-2,L-3 XAS spectrum in CrF2, the inclusion of Cr+ and Cr3+ was needed implying the presence of a disproportionation reaction. The multiplet calculations were then modified to remove the structure of the 2p hole in the calculated M 2p -> 3d absorption spectra. These results for the 3d(n+1) states are in one to one correspondence with the leading edge structures found at the fluorine K edge. A direct comparison with the metal L-2,L-3 edges also indicates that there is evidence of the metal multiplet at the fluorine K pre-edge structures.