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1,4-二氧六环的真空紫外同步辐射光解离电离研究
引用本文:王明,陈军,费维飞,李照辉,余业鹏,林烜,单晓斌,刘付轶,盛六四.1,4-二氧六环的真空紫外同步辐射光解离电离研究[J].化学物理学报,2017,30(4):379-388.
作者姓名:王明  陈军  费维飞  李照辉  余业鹏  林烜  单晓斌  刘付轶  盛六四
作者单位:中国科学技术大学国家辐射实验室, 合肥 230029,中国科学技术大学国家辐射实验室, 合肥 230029,中国科学技术大学国家辐射实验室, 合肥 230029,中国科学技术大学国家辐射实验室, 合肥 230029,中国科学技术大学国家辐射实验室, 合肥 230029,中国科学技术大学国家辐射实验室, 合肥 230029,中国科学技术大学国家辐射实验室, 合肥 230029,中国科学技术大学国家辐射实验室, 合肥 230029,中国科学技术大学国家辐射实验室, 合肥 230029
基金项目:This work was supported by the National Natural Science Foundation of China (No.91544105,No.U1532137,No.11575178,and No.U1232209).
摘    要:

收稿时间:2017/3/11 0:00:00
修稿时间:2017/4/11 0:00:00

Dissociative Photoionization of 1,4-Dioxane with Tunable VUV Synchrotron Radiation
Ming Wang,Jun Chen,Wei-fei Fei,Zhao-hui Li,Ye-peng Yu,Xuan Lin,Xiao-bin Shan,Fu-yi Liu and Liu-si Sheng.Dissociative Photoionization of 1,4-Dioxane with Tunable VUV Synchrotron Radiation[J].Chinese Journal of Chemical Physics,2017,30(4):379-388.
Authors:Ming Wang  Jun Chen  Wei-fei Fei  Zhao-hui Li  Ye-peng Yu  Xuan Lin  Xiao-bin Shan  Fu-yi Liu and Liu-si Sheng
Affiliation:National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China and National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China
Abstract:The photoionization and photodissociation of 1,4-dioxane have been investigated with a reflectron time-of-flight photoionization mass spectrometry and a tunable vacuum ultraviolet synchrotron radiation in the energy region of 8.0-15.5 eV. Parent ion and fragment ions at m/z 88, 87, 58, 57, 45, 44, 43, 41, 31, 30, 29, 28 and 15 are detected under supersonic conditions. The ionization energy of DX as well as the appearance energies of its fragment ions C4H7O2+, C3H6O+, C3H5O+, C2H5O+, C2H4O+, C2H3O+, C3H5+, CH3O+, C2H6+, C2H5+/CHO+, C2H4+ and CH3+ was determined from their photoionization efficiency curves. The optimized structures for the neutrals, cations, transition states and intermediates related to photodissociation of DX are characterized at the B3LYP/6-31+G(d,p) level and their energies are obtained by G3B3 method. Possible dissociative channels of the DX are proposed based on comparison of experimental AE values and theoretical predicted ones. Intramolecular hydrogen migrations are found to be the dominant processes in most of the fragmentation pathways of 1,4-dioxane.
Keywords:1  4-Dioxane  VUV photoionization mass spectra  Appearance energy  Dissociation channel  G3B3
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