No abstract

We studied multiple scattering effects in the EXAFS of CpRe(CO)3 solved in acetone. Forward scattering at the carbon atoms of the almost linear metal-carbonyl moieties plays a dominant role. The contributions of other multiple scattering paths are nearly negligible. Multiple scattering calculations were performed using a magnetic quantum number expansion without any approximation. In order to determine structural parameters a nonlinear least square fitting was carried out on the basis of such multiple scattering calculations which include the forward scattering processes in the metal-carbonyl chains. By means of EXAFS spectroscopy no differences in the structure of CpRe(CO)3 solved in acetone and the crystallized molecule can be detected.