中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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
DOI10.1088/1674-0068/21/02/93-98
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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