• Chinese Journal of Chemical Physics
  • Vol. 33, Issue 5, 583 (2020)
Lijun Geng1、2, Hanyu Zhang2, Haiming Wu2, Zhendong Sun1、3、*, and Zhixun Luo2、*
Author Affiliations
  • 1School of Physics, Shandong University, Ji'nan 250100, China
  • 2Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
  • 3School of Physics and Electrical Engineering, Kashi University, Kashgar 844006, China
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    DOI: 10.1063/1674-0068/cjcp2006086 Cite this Article
    Lijun Geng, Hanyu Zhang, Haiming Wu, Zhendong Sun, Zhixun Luo. Ionization and Dissociation of Benzene and Aniline under Deep Ultraviolet Laser Irradiation[J]. Chinese Journal of Chemical Physics, 2020, 33(5): 583 Copy Citation Text show less

    Abstract

    We report a study on photo-ionization of benzene and aniline with incidental subsequent dissociation by the customized reflection time-of-flight mass spectrometer utilizing a deep ultraviolet 177.3 nm laser. Highly efficient ionization of benzene is observed with a weak C$ _4 $H$ _3 $$ ^+ $ fragment formed by undergoing disproportional C$ - $C bond dissociation. In comparison, a major C$ _5 $H$ _6 $$ ^{+\cdot} $ fragment and a minor C$ _6 $H$ _6 $$ ^{+\cdot} $ radical are produced in the ionization of aniline pertaining to the removal of CNH$ ^\cdot $ and NH$ ^\cdot $ radicals, respectively. First-principles calculation is employed to reveal the photo-dissociation pathways of these two molecules having a structural difference of just an amino group. It is demonstrated that hydrogen atom transfer plays an important role in the cleavage of C$ - $C or C$ - $N bonds in benzene and aniline ions. This study is helpful to understand the underlying mechanisms of chemical bond fracture of benzene ring and related aromatic molecules.
    Lijun Geng, Hanyu Zhang, Haiming Wu, Zhendong Sun, Zhixun Luo. Ionization and Dissociation of Benzene and Aniline under Deep Ultraviolet Laser Irradiation[J]. Chinese Journal of Chemical Physics, 2020, 33(5): 583
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