Multiedge X-ray Absorption Spectroscopy Part II: XANES Analysis of Bridging and Terminal Chlorides in Hexachlorodipalladate(II) Complex

作者：Barton Rhonda L; Gardenghi David J; Stolte Wayne C; Szilagyi Robert K^*

来源：Journal of Physical Chemistry A, 2015, 119(22): 5579-5586.

DOI：10.1021/jp5086763

X-ray absorption spectroscopy is a unique experimental technique that can provide ground state electronic structure information about transition metal complexes with unoccupied d-manifold. The quantitative treatments of pre-edge and rising-edge features have already been developed for the sulfur- and chlorine-ligand K-edge excitations. The complementarity of using multiple core excitation edges from hard, tender, and soft X-ray energy regions has been defined for the first paper of this series. The given study provides compelling evidence for the transferability of the empirical transition dipole integral from ligand K-edge to metal L-edge and back to ligand K-edge in the tender X-ray energy range. The case study was performed for a series of homoleptic chloropalladium compounds at the chlorine K- and palladium L-edges. We propose the method described here to be generally applicable for other core level excitations, where complementarity of ground state electronic structural information from XANES analysis can provide the complete electronic structure description.

• 出版日期2015-6-4