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 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 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 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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October 2020
Research Article|
October 01 2020
Ionization and dissociation of benzene and aniline under deep ultraviolet laser irradiation†
Special Collection:
Special Issue of 16th National Chemical Dynamics Symposium
Lijun Geng;
Lijun Geng
a
School of Physics, Shandong University
, Ji’nan 250100, China
b
Beijing 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
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Hanyu Zhang;
Hanyu Zhang
b
Beijing 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
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Haiming Wu;
Haiming Wu
b
Beijing 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
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Zhendong Sun;
Zhendong Sun
*
a
School of Physics, Shandong University
, Ji’nan 250100, China
c
School of Physics and Electrical Engineering, Kashi University
, Kashgar 844006, China
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Zhixun Luo
Zhixun Luo
*
b
Beijing 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
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†
Part of the special issue on “the Chinese Chemical Society’s 16th National Chemical Dynamics Symposium”.
Chin. J. Chem. Phys. 33, 583–589 (2020)
Article history
Received:
June 05 2020
Accepted:
July 13 2020
Citation
Lijun Geng, Hanyu Zhang, Haiming Wu, Zhendong Sun, Zhixun Luo; Ionization and dissociation of benzene and aniline under deep ultraviolet laser irradiation. Chin. J. Chem. Phys. 1 October 2020; 33 (5): 583–589. https://doi.org/10.1063/1674-0068/cjcp2006086
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