Electronic Properties of Fluorosulfonyl Isocyanate, FSO2NCO: A Photoelectron Spectroscopy and Synchrotron Photoionization Study
文献类型：期刊论文
| 作者 | Moreno Betancourt, Angelica1; Flores Antognini, Andrea2; Erben, Mauricio F.1; Cavasso-Filho, Reinaldo3; Tong, Shengrui4; Ge, Maofa4; Della Vedova, Carlos O.1; Romano, Rosana M.1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2013-09-26 |
| 卷号 | 117期号:38页码:9179-9188 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp407043c |
| 英文摘要 | The electronic properties of fluorosulfonyl isocyanate, FSO2NCO, were investigated by means of photoelectron spectroscopy and synchrotron based techniques. The first ionization potential occurs at 12.3 eV and was attributed to the ejection of electrons formally located at the pi NCO molecular orbital (MO), with a contribution from nonbonding orbitals at the oxygen atoms of the SO2 group. The proposed interpretation of the photoelectron spectrum is consistent with related molecules reported previously and also with the prediction of OVGF (outer valence green function) and P3 (partial third order) calculations. The energy of the inner- and core-shell electrons was determined using X-ray absorption, measuring the total ion yield spectra, and the resonances before each ionization threshold were interpreted in terms of transitions to vacant molecular orbitals. The ionic fragmentation mechanisms in the valence energy region were studied using time-of-flight mass spectrometry as a function of the energy of the incident radiation. At 13 eV the M+ was the only ion detected in the photoion-photoelectron-coincidence spectrum, while the FSO2+ fragment, formed through the breaking of the S-N single bond, appears as the most intense fragment for energies higher than 15 eV. The photoion-photoion-photoelectron-coincidence spectra, taken at the inner- and core levels energy regions, revealed several different fragmentation pathways, being the most important ones secondary decay after deferred charge separation mechanisms leading to the formation of the O+/S+. and C+/O+ pairs. |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| WOS记录号 | WOS:000330079700007 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/53889]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Romano, Rosana M. |
| 作者单位 | 1.Univ Nacl La Plata, Fac Ciencias Exactas, Dept Quim, CEQUINOR,UNLP CONICET,CCT La Plata, RA-1900 La Plata, Argentina 2.Univ Nacl Tucuman, Fac Bioquim Quim & Farm, Inst Quim Fis, INQUINOA,CONICET UNT, RA-4000 San Miguel De Tucuman, Argentina 3.Univ Fed ABC, BR-09090400 Sao Paulo, Brazil 4.Chinese Acad Sci, Inst Chem, BNLMS, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Moreno Betancourt, Angelica,Flores Antognini, Andrea,Erben, Mauricio F.,et al. Electronic Properties of Fluorosulfonyl Isocyanate, FSO2NCO: A Photoelectron Spectroscopy and Synchrotron Photoionization Study[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2013,117(38):9179-9188. |
| APA | Moreno Betancourt, Angelica.,Flores Antognini, Andrea.,Erben, Mauricio F..,Cavasso-Filho, Reinaldo.,Tong, Shengrui.,...&Romano, Rosana M..(2013).Electronic Properties of Fluorosulfonyl Isocyanate, FSO2NCO: A Photoelectron Spectroscopy and Synchrotron Photoionization Study.JOURNAL OF PHYSICAL CHEMISTRY A,117(38),9179-9188. |
| MLA | Moreno Betancourt, Angelica,et al."Electronic Properties of Fluorosulfonyl Isocyanate, FSO2NCO: A Photoelectron Spectroscopy and Synchrotron Photoionization Study".JOURNAL OF PHYSICAL CHEMISTRY A 117.38(2013):9179-9188. |
入库方式： OAI收割
来源：化学研究所
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