Chinese Journal of Chemical Physics, Volume. 33, Issue 5, 583(2020)
Ionization and Dissociation of Benzene and Aniline under Deep Ultraviolet Laser Irradiation†
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.
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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
Received: Jun. 5, 2020
Accepted: Jul. 13, 2020
Published Online: Apr. 21, 2021
The Author Email: Sun Zhendong (zxluo@iccas.ac.cn), Luo Zhixun (zxluo@iccas.ac.cn)