MULTIPLE-SCATTERING CALCULATIONS ON A SERIES OF M(H2O)(6)(2+) COMPLEXES WITH M=V TO CU

The metal K-edge X-ray absorption spectra of a series of M (H2O)(6)(2+) complexes with M = V to Cu have been recorded in aqueous solution. After the white line, all spectra are characterized by a structure whose intensity depends on the absorbing metal. From multiple-scattering (MS) calculations, it has been shown that this structure is due to the collinear MS paths M --> O --> M --> O --> M. The influence of the metal is understood by the analysis of the p phase shifts of the scatterers.