EXAFS studies on the structure of photoexcited cyclopentadienylnickelnitrosyl(C[sub 5]H[sub 5]NiNO)

Conference · Fri Jan 01 00:00:00 EST 1993

OSTI ID:6389579

Chen, L X; Bowman, M K; Montano, A ^[1]; Norris, J R ^[2]

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1. Argonne National Lab., IL (United States)
2. Argonne National Lab., IL (United States) Chicago Univ., IL (United States). Dept. of Chemistry

The structures of C[sub 5]H[sub 5]NiNO in a reversible photochemical reaction were studied via EXAFS, FTIR, and optical absorption spectroscopies. A photoexcited intermediate with distinctively different EXAFS, IR, and optical absorption spectra from those of the ground state molecules was generated upon irradiation using 365 mn light at 20K in a 3-methylpentane solution. The reverse reaction was induced by irradiation with 310 mn light. The EXAFS data analysis has shown a 0.12 [Angstrom] elongation of the Ni-N bond and the bending, of Ni-N-0 in the photoexcited intermediate. Several ZINDO calculations were conducted based on the structures obtained from the EXAFS spectroscopy. These calculations reproduced the changes in the optical spectra and the intramolecular electron transfer in C[sub 5]H[sub 5]NiNO.

• Research Organization: Argonne National Lab., IL (United States)
• Sponsoring Organization: USDOE; USDOE, Washington, DC (United States)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6389579
• Report Number(s): ANL/CHM/CP-79508; CONF-930405-3; ON: DE93012880
• Resource Relation: Conference: Spring meeting of the Materials Research Society, San Francisco, CA (United States), 12-16 Apr 1993
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
NICKEL COMPLEXES
PHOTOLYSIS
NITROSO COMPOUNDS
ABSORPTION SPECTRA
CYCLOPENTADIENE
ELECTRON TRANSFER
FINE STRUCTURE
REACTION INTERMEDIATES
X-RAY SPECTRA
ALKENES
CHEMICAL REACTIONS
COMPLEXES
CYCLOALKENES
DECOMPOSITION
DIENES
HYDROCARBONS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHOTOCHEMICAL REACTIONS
POLYENES
SPECTRA
TRANSITION ELEMENT COMPLEXES
400500* - Photochemistry