Photofragmentation mechanisms of nickel methyl xanthate—resonance Raman and density functional theory investigation

Authors

  • Song-Lin Wei,

    1. Department of Chemistry and State Key Laboratory of Advanced Textile Materials and Manufacturing Technology of the Ministry of Education, Zhejiang Sci-Tech University, Hangzhou 310018, P. R. China
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  • Ping-Cai Gao,

    1. Department of Chemistry and State Key Laboratory of Advanced Textile Materials and Manufacturing Technology of the Ministry of Education, Zhejiang Sci-Tech University, Hangzhou 310018, P. R. China
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  • Yan-Ying Zhao,

    1. Department of Chemistry and State Key Laboratory of Advanced Textile Materials and Manufacturing Technology of the Ministry of Education, Zhejiang Sci-Tech University, Hangzhou 310018, P. R. China
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  • Hui-gang Wang,

    1. Department of Chemistry and State Key Laboratory of Advanced Textile Materials and Manufacturing Technology of the Ministry of Education, Zhejiang Sci-Tech University, Hangzhou 310018, P. R. China
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  • Xuming Zheng

    Corresponding author
    1. Department of Chemistry and State Key Laboratory of Advanced Textile Materials and Manufacturing Technology of the Ministry of Education, Zhejiang Sci-Tech University, Hangzhou 310018, P. R. China
    • Department of Chemistry and State Key Laboratory of Advanced Textile Materials and Manufacturing Technology of the Ministry of Education, Zhejiang Sci-Tech University, Hangzhou 310018, P. R. China.
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Abstract

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.

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