ICCAS OpenIR
Photoelectron spectroscopy, photoionization mass spectroscopy, and theoretical study on CCl(3)SSCN
Lin Du1,2; Li Yao1,2; Mao-fa Ge1
2008-04-01
Source PublicationCHINESE JOURNAL OF CHEMICAL PHYSICS
ISSN1674-0068
Volume21Issue:2Pages:93-98
AbstractTrichloromethanesulfenyl 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.
KeywordPhotoelectron Spectroscopy Photoionization Mass Spectroscopy Electronic Structure
DOI10.1088/1674-0068/21/02/93-98
Indexed BySCI
Language英语
WOS IDWOS:000255807000001
PublisherCHINESE PHYSICAL SOC
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/65098
Collection中国科学院化学研究所
Corresponding AuthorMao-fa Ge
Affiliation1.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
Recommended Citation
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.
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