Ionization and Dissociation of Benzene and Aniline under Deep Ultraviolet Laser Irradiation |
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Authors: | Lijun Geng Hanyu Zhang Haiming Wu Zhendong Sun Zhixun Luo |
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Affiliation: | a.School of Physics, Shandong University, Ji'nan 250100, Chinab.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, Chinac.School of Physics and Electrical Engineering, Kashi University, Kashgar 844006, China |
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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\begin{document}$ _4 $\end{document}H\begin{document}$ _3 $\end{document}\begin{document}$ ^+ $\end{document} fragment formed by undergoing disproportional C\begin{document}$ - $\end{document}C bond dissociation. In comparison, a major C\begin{document}$ _5 $\end{document}H\begin{document}$ _6 $\end{document}\begin{document}$ ^{+\cdot} $\end{document} fragment and a minor C\begin{document}$ _6 $\end{document}H\begin{document}$ _6 $\end{document}\begin{document}$ ^{+\cdot} $\end{document} radical are produced in the ionization of aniline pertaining to the removal of CNH\begin{document}$ ^\cdot $\end{document} and NH\begin{document}$ ^\cdot $\end{document} radicals, respectively. First-principles calculation is employed to reveal the photo-dissociation pathways of these two molecules having a structural difference of just an amino group. It is demonstrated that hydrogen atom transfer plays an important role in the cleavage of C\begin{document}$ - $\end{document}C or C\begin{document}$ - $\end{document}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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Keywords: | Photo-dissociation Mass spectrometry Benzene Aniline Deep ultraviolet laser C-C bond activation |
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