EXAFS studies on the structure of photoexcited cyclopentadienylnickelnitrosyl(C{sub 5}H{sub 5}NiNO)
- Argonne National Lab., IL (United States)
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, Washington, DC (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 10156495
- 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; Other Information: PBD: [1993]
- Country of Publication:
- United States
- Language:
- English
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