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Photofragmentation mechanisms of nickel methyl xanthate—resonance Raman and density functional theory investigation
Author(s) -
Wei SongLin,
Gao PingCai,
Zhao YanYing,
Wang Huigang,
Zheng Xuming
Publication year - 2011
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.2814
Subject(s) - raman spectroscopy , xanthate , chemistry , resonance (particle physics) , photodissociation , density functional theory , nickel , ultraviolet , photochemistry , analytical chemistry (journal) , computational chemistry , atomic physics , inorganic chemistry , physics , optics , organic chemistry
The C‐, D‐, and E‐band resonance Raman spectra were obtained for nickel methyl xanthate (NMX) in acetonitrile solution. Density functional calculations were carried out to help elucidate its ultraviolet electronic transitions and vibrational assignments of the resonance Raman spectra associated with the C‐, D‐, and E‐band absorptions. The Franck–Condon region photodissociation dynamics of NMX in C, D, and E‐band absorptions were revealed to have multidimensional characters and to be significantly different from one another in terms of the resonance Raman intensity patterns. The photofragmentation mechanism associated with C‐, D‐, and E‐band absorptions are briefly discussed. Copyright © 2010 John Wiley & Sons, Ltd.