Photoelectron spectroscopy and density functional calculations of CnSm- (n=2-7; m=1, 2) clusters

doi:10.1039/c5cp04482k

	Photoelectron spectroscopy and density functional calculations of CnSm- (n=2-7; m=1, 2) clusters
	Xu, Xi-Ling; Deng, Xiao-Jiao; Xu, Hong-Guang; Zheng, Wei-Jun
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2015
卷号	17 期号:46 页码:31011-31022
ISSN号	1463-9076
DOI	10.1039/c5cp04482k
文献子类	Article
英文摘要	CnSm- (n = 2-7; m = 1, 2) clusters were investigated by using photoelectron spectroscopy combined with density functional theory calculations. We found that the vertical detachment energies of both CnS2- and CnS2- (n = 2-7) clusters exhibit a strong odd-even alternation with an increasing number of carbon atoms: the VDEs of even-n clusters are higher than those of adjacent odd-n clusters. The most stable structures of the anionic and neutral CnS (n = 2-7) clusters are linear with the S atom locating at one end of the carbon chain except that the structure of C3S- is slightly bent. The ground state isomers of the anionic and neutral CnS2 (n = 2-7) clusters are all linear structures with two S atoms locating at two ends of the carbon chain. The electron affinities of the neutral CnS (n = 2, 4-7) and CnS2 (n = 2-7) clusters are determined based on the experimental adiabatic detachment energies of the corresponding anion species, because the most stable structures of the neutral clusters are similar to those of the corresponding anions.
WOS关键词	TRANSFORM MICROWAVE SPECTROSCOPY ; CARBON-SULFUR CLUSTERS ; INDUCED FLUORESCENCE SPECTROSCOPY ; ELECTRONIC-ABSORPTION-SPECTRA ; ASTRONOMICAL IDENTIFICATION ; LABORATORY DETECTION ; CIRCUMSTELLAR SHELL ; CARBIDE CLUSTERS ; NEON MATRICES ; C3S MOLECULE
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000365401700025
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/171610]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Zheng, Wei-Jun
作者单位	Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Xu, Xi-Ling,Deng, Xiao-Jiao,Xu, Hong-Guang,et al. Photoelectron spectroscopy and density functional calculations of CnSm- (n=2-7; m=1, 2) clusters[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2015,17(46):31011-31022.
APA	Xu, Xi-Ling,Deng, Xiao-Jiao,Xu, Hong-Guang,&Zheng, Wei-Jun.(2015).Photoelectron spectroscopy and density functional calculations of CnSm- (n=2-7; m=1, 2) clusters.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,17(46),31011-31022.
MLA	Xu, Xi-Ling,et al."Photoelectron spectroscopy and density functional calculations of CnSm- (n=2-7; m=1, 2) clusters".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.46(2015):31011-31022.