DICP OpenIR
Structural and electronic properties of HCnS- (n=4-11): anion photoelectron spectroscopy and density functional calculations
Xu, Xi-Ling1,2; Yang, Bin1,2; Xu, Hong-Guang1,2; Deng, Xiao-Jiao1,2; Zheng, Wei-Jun1,2
Source PublicationRSC ADVANCES
2016
ISSN2046-2069
DOI10.1039/c6ra13665f
Volume6Issue:81Pages:78064-78072
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Multidisciplinary
WOS Research AreaChemistry
WOS KeywordINDUCED FLUORESCENCE SPECTROSCOPY ; TRANSFORM MICROWAVE SPECTROSCOPY ; AB-INITIO ; HYPERFINE-STRUCTURE ; ROTATIONAL SPECTRA ; ASTRONOMICAL IDENTIFICATION ; LABORATORY DETECTION ; HYDROGEN-SULFIDE ; CROSSED-BEAM ; GROUND-STATE
AbstractWe investigated the HCnS- (n = 4-11) clusters using anion photoelectron spectroscopy and density functional theory calculations. The partially resolved vibrational spectra of the HCnS- (n = 4-11) clusters are obtained. We found that the vertical detachment energies of the HCnS- (n = 4-11) clusters display an obvious parity effect with increasing number of carbon atoms: the vertical detachment energies of the even-numbered HCnS- are higher than their neighboring odd- numbered counterparts; the spectral features of the even-numbered HCnS- are much sharper than those of their odd-numbered counterparts. The ground-state structures of the anionic and neutral HCnS (n = 4-11) clusters are linear with the H and S atoms locating at two ends of the carbon chain. The electron affinities of the neutral HCnS- (n = 4-11) clusters are determined based on the transitions from the ground states of HCnS- anions to the electronic ground states of HCnS neutral species.
Language英语
WOS IDWOS:000382482200106
PublisherROYAL SOC CHEMISTRY
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/170147
Collection中国科学院大连化学物理研究所
Corresponding AuthorZheng, Wei-Jun
Affiliation1.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Xu, Xi-Ling,Yang, Bin,Xu, Hong-Guang,et al. Structural and electronic properties of HCnS- (n=4-11): anion photoelectron spectroscopy and density functional calculations[J]. RSC ADVANCES,2016,6(81):78064-78072.
APA Xu, Xi-Ling,Yang, Bin,Xu, Hong-Guang,Deng, Xiao-Jiao,&Zheng, Wei-Jun.(2016).Structural and electronic properties of HCnS- (n=4-11): anion photoelectron spectroscopy and density functional calculations.RSC ADVANCES,6(81),78064-78072.
MLA Xu, Xi-Ling,et al."Structural and electronic properties of HCnS- (n=4-11): anion photoelectron spectroscopy and density functional calculations".RSC ADVANCES 6.81(2016):78064-78072.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Xu, Xi-Ling]'s Articles
[Yang, Bin]'s Articles
[Xu, Hong-Guang]'s Articles
Baidu academic
Similar articles in Baidu academic
[Xu, Xi-Ling]'s Articles
[Yang, Bin]'s Articles
[Xu, Hong-Guang]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Xu, Xi-Ling]'s Articles
[Yang, Bin]'s Articles
[Xu, Hong-Guang]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.