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Lijun Geng, Hanyu Zhang, Haiming Wu, Zhen-Dong Sun, Zhixun Luo. Ionization and Dissociation of Benzene and Aniline under Deep Ultraviolet Laser Irradiation[J]. Chinese Journal of Chemical Physics .
Citation: Lijun Geng, Hanyu Zhang, Haiming Wu, Zhen-Dong Sun, Zhixun Luo. Ionization and Dissociation of Benzene and Aniline under Deep Ultraviolet Laser Irradiation[J]. Chinese Journal of Chemical Physics .

Ionization and Dissociation of Benzene and Aniline under Deep Ultraviolet Laser Irradiation

  • Received Date: 2020-06-05
  • Accepted Date: 2020-07-20
  • Rev Recd Date: 2020-07-13
  • Available Online: 2020-07-31
  • 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 (DUV) 177.3 nm laser. Highly efficient ionization of benzene is observed with a weak C4H3+ fragment formed by undergoing disproportional C−C bond dissociation. In comparison, a major C5H6+• fragment and a minor C6H6+• radical are produced in the DUV ionization of aniline pertaining to the removal of CNH* and NH* 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 (HAT) plays an important role in the cleavage of C−C or C−N bonds in benzene and aniline ions. This study helps understand the underlying mechanisms of chemical bond fracture of benzene ring and related aromatic molecules.

     

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      沈阳化工大学材料科学与工程学院 沈阳 110142

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