Jay, R.M.; Eckert, S.; Mitzner, R.; Fondell, M.; Föhlisch, A.: Quantitative evaluation of transient valence orbital occupations in a 3d transition metal complex as seen from the metal and ligand perspective. Chemical Physics Letters 754 (2020), p. 137681/1-5
10.1016/j.cplett.2020.137681
Open Access Version (available 01.09.2021)

Abstract:
It is demonstrated for the case of photo-excited ferrocyanide how time-resolved soft X-ray absorption spectroscopy in transmission geometry at the ligand K-edge and metal L3-edge provides quantitatively equivalent valence electronic structure information, where signatures of photo-oxidation are assessed locally at the metal as well as the ligand. This allows for a direct and independent quantification of the number of photo-oxidized molecules at two soft X-ray absorption edges highlighting the sensitivity of X-ray absorption spectroscopy to the valence orbital occupation of 3d transition metal complexes throughout the soft X-ray range.