Molecular structure of nickelcyclopentadienylnitrosyl in condensed phases studied by EXAFS

Lin X. Chen; Michael K. Bowman; Marion C. Thurnauer; Farrel W. Lytle; James R. Norris

doi:10.1016/0009-2614(92)80013-2

Molecular structure of nickelcyclopentadienylnitrosyl in condensed phases studied by EXAFS

Lin X. Chen, Michael K. Bowman, Marion C. Thurnauer, Farrel W. Lytle, James R. Norris^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	290-296
Number of pages	7
Journal	Chemical Physics Letters
Volume	200
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(92)80013-2
State	Published - Dec 4 1992

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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@article{f2672e3104c34c9fac2b1a2fe7ee9708,

title = "Molecular structure of nickelcyclopentadienylnitrosyl in condensed phases studied by EXAFS",

abstract = "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 {\AA}, respectively.",

author = "Chen, {Lin X.} and Bowman, {Michael K.} and Thurnauer, {Marion C.} and Lytle, {Farrel W.} and Norris, {James R.}",

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doi = "10.1016/0009-2614(92)80013-2",

language = "English (US)",

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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.

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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