Theoretical Study of Isoprene Dissociative Photoionization | |
Ma, Qiao1,2; Huang, Ming-qiang3; Liu, Xian-yun4; Gai, Yan-bo1![]() | |
刊名 | CHINESE JOURNAL OF CHEMICAL PHYSICS
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2017-02-01 | |
卷号 | 30期号:1页码:43-49 |
关键词 | Appearance Energy Dissociation Channel Transition State Cbs-qb3 |
DOI | 10.1063/1674-0068/30/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) |
内容类型 | 期刊论文 |
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. |
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