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

苯和苯胺在深紫外光照射下的电离和解离

作　　者：Lijun Geng Hanyu Zhang Haiming Wu Zhendong Sun Zhixun Luo 耿丽君;张含宇;吴海铭;孙振东;骆智训(山东大学物理学院,济南250100;中国科学院化学研究所,北京分子科学国家实验室,分子动态与稳态结构化学国家重点实验室,北京100190;喀什大学物理与电气工程学院,喀什844006)

机构地区：[1]School of Physics,Shandong University,Ji'nan 250100,China [2]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 [3]School of Physics and Electrical Engineering,Kashi University,Kashgar 844006,China

出　　处：《Chinese Journal of Chemical Physics》2020年第5期583-589,I0014-I0028,I0078,I0079,共24页化学物理学报（英文）

基　　金：supported by the National Natural Science Foundation of China(No.91536105,No.11174186,No.21722308);the National Project Development of Advanced Scientific Instruments Based on Deep Ultraviolet Laser Source(No.Y31M0112C1);the Beijing Natural Science Foundation(No.2192064);the Key Research Program of Frontier Sciences,Chinese Academy of Sciences(No.QYZDB-SSW-SLH024);financial support from the Tianshan Scholar Program。

摘　　要：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.

关 键 词：PHOTO-DISSOCIATION Mass spectrometry BENZENE ANILINE Deep ultraviolet laser C-C bond activation 

分 类 号：O625[理学—有机化学] O625.631[理学—化学]