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

	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
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.
收录类别	SCI
语种	英语
公开日期	2015-12-29
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/29290]
专题	化学研究所_分子反应动力学实验室
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.