Photoelectron spectra and electronic structures of some chlorosulfonyl pseudohalides
文献类型：期刊论文
| 作者 | Liu, FY; Zeng, XQ; Wang, WG; Meng, LP; Zheng, SJ; Ge, MF; Wang, DX |
| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2006 |
| 卷号 | 63期号:1页码:111-116 |
| 关键词 | Photoelectron Spectra Lone-pair Ionization Energy |
| ISSN号 | 1386-1425 |
| DOI | 10.1016/j.saa.2005.04.053 |
| 英文摘要 | The electronic structures of chlorosulfonyl pseudohalide ClSO2X (X = Cl, NCO, N-3) are studied by photoelectron spectroscopy (PES) combined with the OVGF calculation at 6-311++G(3df) basis sets. The first ionization potentials for CISO2NCO and CISO2N3 are determined to be 12.02 and 11.43 eV, respectively, for the first time, and their features in the PE spectra were assigned based on comparison with related compounds and with high level quantum calculations. Photoelectron spectra of CISO2NCO and CISO2N3 suggest that the interactions between chlorine "lone-pair" electrons and two pseudohalogen groups have significant effect on the HOMOs of two compounds, besides the influence of their electronegativity on the first ionization energies. (c) 2005 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000234282000018 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/59427]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wang, DX |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China 3.Hebei Normal Univ, Open Lab Computat Quantum Chem, Shijiazhuang 050091, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, FY,Zeng, XQ,Wang, WG,et al. Photoelectron spectra and electronic structures of some chlorosulfonyl pseudohalides[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2006,63(1):111-116. |
| APA | Liu, FY.,Zeng, XQ.,Wang, WG.,Meng, LP.,Zheng, SJ.,...&Wang, DX.(2006).Photoelectron spectra and electronic structures of some chlorosulfonyl pseudohalides.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,63(1),111-116. |
| MLA | Liu, FY,et al."Photoelectron spectra and electronic structures of some chlorosulfonyl pseudohalides".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 63.1(2006):111-116. |
入库方式： OAI收割
来源：化学研究所
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