MOLECULAR-STRUCTURE OF NICKELCYCLOPENTADIENYLNITROSYL IN CONDENSED PHASES STUDIED BY EXAFS

The molecular structure of nickelcyclopentadienylnitrosyl (NiCpNO) in hexane liquid solution and in polystyrene film has been studied by EXAFS. EXAFS parameters from reference compounds and from theoretical calculations which assume normal, single scattering for NiCpNO EXAFS data analysis failed to fit the experimental data. This fact indicates a strong forward focusing effect in NiCpNO due to a linear or nearly linear configuration of -Ni-N-O. In such a case, multiple scattering must be included in the data analysis. Curve fittings with structural parameters derived from reference compounds with a similar linear configuration have given satisfactory agreement and reasonable distances between Ni and other atoms in the molecule. The Ni-N, Ni-C and Ni-O distances are determined to be 1.65, 2.16 and 2.77 angstrom, respectively.