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题名: Structural and electronic properties of HCnS- (n=4-11): anion photoelectron spectroscopy and density functional calculations
作者: Xu, Xi-Ling1, 2; Yang, Bin1, 2; Xu, Hong-Guang1, 2; Deng, Xiao-Jiao1, 2; Zheng, Wei-Jun1, 2
刊名: RSC ADVANCES
发表日期: 2016
卷: 6, 期:81, 页:78064-78072
收录类别: SCI
英文摘要: We 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.
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/35417
Appears in Collections:分子反应动力学实验室_期刊论文

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作者单位: 1.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
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