Photoelectron spectroscopy, photoionization mass spectroscopy, and theoretical study on CCl(3)SSCN
文献类型：期刊论文
| 作者 | Lin Du1,2; Li Yao1,2; Mao-fa Ge1 |
| 刊名 | CHINESE JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2008-04-01 |
| 卷号 | 21期号:2页码:93-98 |
| 关键词 | Photoelectron Spectroscopy Photoionization Mass Spectroscopy Electronic Structure |
| ISSN号 | 1674-0068 |
| DOI | 10.1088/1674-0068/21/02/93-98 |
| 英文摘要 | Trichloromethanesulfenyl thiocyanate, CCl(3)SSCN, was generated and studied by photoelectron spectroscopy (PES), photoionization mass spectroscopy (PIMS), and theoretical calculations. This molecule exhibits a gauche conformation, and the torsional angle around S-S bond is 91.4 degrees due to the sulfur-sulfur lone pair interactions. After ionization, the ground-state cationic-radical form of CCl(3)SSCN(+) adopts a trans planar main-atom structure with CS symmetry. The highest occupied molecular orbital (HOMO) of CCl(3)SSCN corresponds to the electrons mainly localized on the sulfur 3p lone pair MO. The first ionization energy is determined to be 10.40 eV. |
| 语种 | 英语 |
| WOS记录号 | WOS:000255807000001 |
| 出版者 | CHINESE PHYSICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/65097]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Mao-fa Ge |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lin Du,Li Yao,Mao-fa Ge. Photoelectron spectroscopy, photoionization mass spectroscopy, and theoretical study on CCl(3)SSCN[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2008,21(2):93-98. |
| APA | Lin Du,Li Yao,&Mao-fa Ge.(2008).Photoelectron spectroscopy, photoionization mass spectroscopy, and theoretical study on CCl(3)SSCN.CHINESE JOURNAL OF CHEMICAL PHYSICS,21(2),93-98. |
| MLA | Lin Du,et al."Photoelectron spectroscopy, photoionization mass spectroscopy, and theoretical study on CCl(3)SSCN".CHINESE JOURNAL OF CHEMICAL PHYSICS 21.2(2008):93-98. |
入库方式： OAI收割
来源：化学研究所
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