Deep UV resonance Raman spectroscopic study of CnF2n+2 molecules: the excitation of C–C σ bond

Authors

  • Shaoqing Jin,

    1. State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
    2. University of Chinese Academy of Sciences, Beijing, China
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  • Meiling Guo,

    1. State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
    2. University of Chinese Academy of Sciences, Beijing, China
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  • Fengtao Fan,

    1. State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
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  • Jingxiu Yang,

    1. State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
    2. University of Chinese Academy of Sciences, Beijing, China
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  • Ying Zhang,

    1. State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
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  • Baokun Huang,

    1. State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
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  • Zhaochi Feng,

    Corresponding author
    • State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
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  • Can Li

    Corresponding author
    • State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
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Correspondence to: Zhaochi Feng, State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.

E-mail: zcfeng@dicp.ac.cn

*Can Li, State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.

E-mail: canli@dicp.ac.cn

Abstract

The σ–σ* transition of C–C bond in CnF2n+2 molecules was studied by deep UV resonance Raman spectroscopy. With the C–C σ bond selectively excited by the deep UV laser at 177.3 nm, the resonance Raman spectra of CnF2n+2 molecules were obtained on our home-assembled deep UV Raman spectrograph. The Raman bands at 1299, 1380 and 2586 cm−1 due to the C–C skeletal stretching modes are evidently enhanced owing to the resonance Raman effect. Based on the resonance Raman spectra and theoretical calculation results, it is proposed that the electronic geometry of CnF2n+2 molecules at the σσ* excited state is displaced along the directions perpendicular and parallel to the C–C skeleton, and the excited C–C bond is not dissociative due to the delocalization of the excited electron in σ* orbital. Copyright © 2012 John Wiley & Sons, Ltd.

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