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Chinese Academy of Sciences Institutional Repositories Grid
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  2. 合肥物质科学研究院
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  4. 中科院安徽光学精密机械研究所
Theoretical Study of Isoprene Dissociative Photoionization

文献类型：期刊论文

作者Ma, Qiao1,2; Huang, Ming-qiang3; Liu, Xian-yun4; Gai, Yan-bo1; Lin, Xiao-xiao1; Yang, Cheng-qiang1,5; Sheng, Liu-si6; Shan, Xiao-bin6; Zhang, Wei-jun1,5
刊名CHINESE JOURNAL OF CHEMICAL PHYSICS
出版日期2017-02-01
卷号30期号:1页码:43-49
关键词Appearance Energy Dissociation Channel Transition State Cbs-qb3
DOI10.1063/1674-0068/30/cjcp1606131
文献子类Article
英文摘要Theoretical calculations have been carried out to investigate the possible dissociation channels of isoprene. We focus on the major fragment ions of C5H7+, C5H5+, C4H5+, C3H6+, C3H5+, C3H4+, C3H3+ and C2H3+, which were observed experimentally from the isoprene dissociative photoionization. The energy calculations were performed with the CBS-QB3 model. All the geometries and energies of the fragments, intermediates and transition states involved in the dissociations channels were determined. Finally, the mechanisms of the dissociation pathways were discussed on the comparison of theoretical and experimental results.
WOS关键词SECONDARY ORGANIC AEROSOL ; TROPOSPHERIC CONDITIONS ; BIOGENIC HYDROCARBONS ; RAMAN INTENSITIES ; CARBONYL OXIDES ; REGIONAL OZONE ; PHOTOOXIDATION ; OH ; OZONOLYSIS ; CHEMISTRY
WOS研究方向Physics
语种英语
WOS记录号WOS:000397206700007
资助机构National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; National Natural Science Foundation of China(91544228 ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; Outstanding Youth Science Foundation of Fujian Province of China(2015J06009) ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 21307137 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41575125 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; 41375127 ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; U1232209) ; U1232209)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/31755]  
专题合肥物质科学研究院_中科院安徽光学精密机械研究所
作者单位1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Lab Atmospher Physicochem, Hefei 230031, Peoples R China
2.Univ Sci & Technol China, Hefei 230026, Peoples R China
3.Minnan Normal Univ, Coll Chem & Environm, Zhangzhou 363000, Peoples R China
4.Changzhou Univ, Sch Math & Phys, Changzhou 213164, Peoples R China
5.Univ Sci & Technol China, Sch Environm Sci & Optoelect Technol, Hefei 230026, Peoples R China
6.Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230029, Peoples R China
推荐引用方式
GB/T 7714		 Ma, Qiao,Huang, Ming-qiang,Liu, Xian-yun,et al. Theoretical Study of Isoprene Dissociative Photoionization[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2017,30(1):43-49.
APA Ma, Qiao.,Huang, Ming-qiang.,Liu, Xian-yun.,Gai, Yan-bo.,Lin, Xiao-xiao.,...&Zhang, Wei-jun.(2017).Theoretical Study of Isoprene Dissociative Photoionization.CHINESE JOURNAL OF CHEMICAL PHYSICS,30(1),43-49.
MLA Ma, Qiao,et al."Theoretical Study of Isoprene Dissociative Photoionization".CHINESE JOURNAL OF CHEMICAL PHYSICS 30.1(2017):43-49.

入库方式： OAI收割

来源：合肥物质科学研究院

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