Electronic Properties of FC(O)SCH2CH3. A Combined Helium(I) Photoelectron Spectroscopy and Synchrotron Radiation Study
文献类型：期刊论文
| 作者 | Rodriguez Pirani, Lucas S.1; Erben, Mauricio F.1; Gerones, Mariana1; Romano, Rosana M.1; Cavasso Filho, Reinaldo L.2; Ma, Chunping3; Ge, Maofa3; Della Vedova, Carlos O.1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2014-08-07 |
| 卷号 | 118期号:31页码:5950-5960 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp412564u |
| 英文摘要 | The valence electronic properties of S-ethyl flouromethanethioate (S-ethyl fluoromethsanethioate), FC(O)SCH2CH3, were investigated by means of He(I) photoelectron spectroscopy in conjunction with the analysis of the photofragmentation products determined by PEPICO (phtoelectron-photoion-coincidence) by using synchrotron radiation in the 11.1-21.6 eV photon energy range. The first band observed at 10.28 eV in the HeI photoelectron spectrum can be assigned with confidence to the ionization process from the HOMO [n(pi)(S) orbital], which is described as a lone pair formally localized on the sulfur atom, in agreement with quantum chemical calculations using the outer valence Green function method [OVGF/6-311-1-+G (d,p)]. One of the most important fragmentation channels also observed in the valence region corresponds to the decarbonylation process yielding the [M CO] ion, which is clearly observed at m/z = 80. Moreover, S 2p and S 2s absorption edges have been examined by measuring the total ion yield spectra in the 160-240 eV region using variable synchrotron radiation. The dynamic of ionic fragmentation following the Auger electronic decay has been evaluated with the help of the PEPIPICO (photoion photoion photoelectron coincidence spectra) technique. |
| 语种 | 英语 |
| WOS记录号 | WOS:000340222500025 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/50813]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Erben, Mauricio F. |
| 作者单位 | 1.Univ Nacl La Plata, Fac Ciencias Exactas, Dept Quim, CEQUINOR CONICET UNLP, RA-1900 La Plata, Buenos Aires, Argentina 2.Univ Fed ABC, BR-09090400 Sao Paulo, Brazil 3.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Rodriguez Pirani, Lucas S.,Erben, Mauricio F.,Gerones, Mariana,et al. Electronic Properties of FC(O)SCH2CH3. A Combined Helium(I) Photoelectron Spectroscopy and Synchrotron Radiation Study[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2014,118(31):5950-5960. |
| APA | Rodriguez Pirani, Lucas S..,Erben, Mauricio F..,Gerones, Mariana.,Romano, Rosana M..,Cavasso Filho, Reinaldo L..,...&Della Vedova, Carlos O..(2014).Electronic Properties of FC(O)SCH2CH3. A Combined Helium(I) Photoelectron Spectroscopy and Synchrotron Radiation Study.JOURNAL OF PHYSICAL CHEMISTRY A,118(31),5950-5960. |
| MLA | Rodriguez Pirani, Lucas S.,et al."Electronic Properties of FC(O)SCH2CH3. A Combined Helium(I) Photoelectron Spectroscopy and Synchrotron Radiation Study".JOURNAL OF PHYSICAL CHEMISTRY A 118.31(2014):5950-5960. |
入库方式： OAI收割
来源：化学研究所
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