TY - JOUR
T1 - Molecular structure of nickelcyclopentadienylnitrosyl in condensed phases studied by EXAFS
AU - Chen, Lin X.
AU - Bowman, Michael K.
AU - Thurnauer, Marion C.
AU - Lytle, Farrel W.
AU - Norris, James R.
N1 - Funding Information:
This work is supported by the US Department of Energy under contract W-3 l-109-Eng-38. We thank Professor Jeremy Burdett for many useful discussions which inspired this study, and the Beamline X23A2 staff Dr. C. Bouldin and J. Woicik for their assistance during the experiment.
PY - 1992/12/4
Y1 - 1992/12/4
N2 - 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 NiO. 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 NiN, NiC and NiO distances are determined to be 1.65, 2.16 and 2.77 Å, respectively.
AB - 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 NiO. 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 NiN, NiC and NiO distances are determined to be 1.65, 2.16 and 2.77 Å, respectively.
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U2 - 10.1016/0009-2614(92)80013-2
DO - 10.1016/0009-2614(92)80013-2
M3 - Article
AN - SCOPUS:4244009512
VL - 200
SP - 290
EP - 296
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 3
ER -