期刊
EUROPEAN PHYSICAL JOURNAL D
卷 75, 期 4, 页码 -出版社
SPRINGER
DOI: 10.1140/epjd/s10053-021-00135-2
关键词
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资金
- National Natural Science Foundation of China [11275006, 11805032, 11505027, 11575178, U1532137]
- Nuclear Technology Application Engineering Research Center Open Foundation of Ministry of Education [HJSJYB2015-6, HJSJYB2018-6]
- Chinese Scholarship Council [201608360053]
- Graduate Students High-Quality Course Construction Program of Jiangxi Province [JXYYK2016-12]
- China Postdoctoral Science Foundation [2013M531530]
- Doctoral Foundation of East China University of Technology [DHBK201401]
- Provincial Natural Science Research Program of Higher Education Institutions of Anhui Province [KJ2012B086]
- Natural Science Foundation of Education Department of Guizhou Province [[2016]110]
- Natural Science Foundation of Department of Science and Technology of Guizhou Province [[2020]QNSYXM03]
The photoionization and dissociative photoionization of o-xylene were studied using synchrotron radiation vacuum ultraviolet light. The ionization energy and appearance energies of fragment ions were determined, with a detailed mechanism presented for C6H6+ dissociation. Geometries of intermediates, transition states, and products were performed, with discussions on the mechanisms involved.
The photoionization and dissociative photoionization of o-xylene have been studied using synchrotron radiation vacuum ultraviolet light with the photon energy in the range of 8.0-13.0 eV. The ionization energy of o-xylene and the appearance energies for the main fragment ions C8H9+, C7H7+ and C6H6+ were determined to be 8.45, 11.08, 11.47 and 11.17 eV, respectively, with photoionization efficiency spectra (PIES). Three dissociation pathways of parent ions are investigated by experimental photoionization and the quantum-chemical calculations. The fragment ions C7H7+ derived from parent ions involved hydrogen atom transfer rather than direct dissociation. Particularly, detailed mechanisms of dissociation C6H6+ are presented for the first time in this work. In addition, the geometries of the intermediates (INTs), transition states (TSs) and products have been performed at B3LYP/6-311 ++ G (d, p) level. The mechanisms of dissociative photoionization of o-xylene and the INTs and TSs involved are discussed in detail.
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