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

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.
Authors:
; ;  [1] ;  [2]
  1. (Argonne National Lab., IL (United States))
  2. (Argonne National Lab., IL (United States) Chicago Univ., IL (United States). Dept. of Chemistry)
Publication Date:
OSTI Identifier:
6389579
Report Number(s):
ANL/CHM/CP-79508; CONF-930405--3
ON: DE93012880
DOE Contract Number:
W-31109-ENG-38
Resource Type:
Conference
Resource Relation:
Conference: Spring meeting of the Materials Research Society, San Francisco, CA (United States), 12-16 Apr 1993
Research Org:
Argonne National Lab., IL (United States)
Sponsoring Org:
DOE; USDOE, Washington, DC (United States)
Country of Publication:
United States
Language:
English
Subject:
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