Electronic structure and photoionization dissociation studies of chlorocarbonyl trifluoromethanesulfonate, CF3SO3C(O)Cl
文献类型：期刊论文
| 作者 | Wang XiaoPeng; Tong ShengRui; Ge MaoFa; Wang WeiGang; Wang DianXun |
| 刊名 | JOURNAL OF MOLECULAR STRUCTURE
 |
| 出版日期 | 2012-09-12 |
| 卷号 | 1023页码:37-42 |
| 关键词 | Hel Photoelectron Spectroscopy (Pes) Photoionization Mass Spectroscopy (Pims) Theoretical Calculations Outer-valence Green's Function (Ovgf) |
| ISSN号 | 0022-2860 |
| DOI | 10.1016/j.molstruc.2012.03.073 |
| 英文摘要 | Chlorocarbonyl trifiuoromethanesulfonate, CF3SO3C(O)Cl was prepared by heterogeneous reaction of gaseous CIC(O)SCl with CF3SO3Ag. The electronic structure and photoionization dissociation were investigated by Hel photoelectron spectroscopy (PES) and photoionization mass spectroscopy (PIMS). The assignments of the bands in the PES were reasonably supported by previous studies on analogous molecules, as well as the outer-valence Green's function (OVGF) calculations. The experimental first vertical ionization potential of CF3SO3C(O)Cl was determined to be 12.36 eV, which was assigned to the ionization mainly from the oxygen lone pair orbital. It shows three peaks: CICO+ (63, 65), CF3+(69) and CF3SO2+ (133) in the spectrum of PIMS, with the dominant features being the CICO+ and CF3+ peaks. According to the calculated bond dissociation energies, the dissociation process was also discussed. (C) 2012 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000308971900008 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/48615]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Tong ShengRui |
| 作者单位 | Chinese Acad Sci, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang XiaoPeng,Tong ShengRui,Ge MaoFa,et al. Electronic structure and photoionization dissociation studies of chlorocarbonyl trifluoromethanesulfonate, CF3SO3C(O)Cl[J]. JOURNAL OF MOLECULAR STRUCTURE,2012,1023:37-42. |
| APA | Wang XiaoPeng,Tong ShengRui,Ge MaoFa,Wang WeiGang,&Wang DianXun.(2012).Electronic structure and photoionization dissociation studies of chlorocarbonyl trifluoromethanesulfonate, CF3SO3C(O)Cl.JOURNAL OF MOLECULAR STRUCTURE,1023,37-42. |
| MLA | Wang XiaoPeng,et al."Electronic structure and photoionization dissociation studies of chlorocarbonyl trifluoromethanesulfonate, CF3SO3C(O)Cl".JOURNAL OF MOLECULAR STRUCTURE 1023(2012):37-42. |
入库方式： OAI收割
来源：化学研究所
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