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题名: Photoelectron spectroscopy and density functional study of ConC2- (n=1-5) clusters
作者: Yuan, Jin-Yun1, 2;  Xu, Hong-Guang1;  Zheng, Wei-Jun1
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2014
DOI: 10.1039/c3cp54758b
卷: 16, 期:11, 页:5434-5439
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: ConC2-(n = 1-5) cluster anions were investigated using anion photoelectron spectroscopy. The adiabatic detachment energies (ADEs) and the vertical detachment energies (VDEs) of the ConC2- (n = 1-5) cluster anions were determined from their photoelectron spectra. Density functional calculations were performed for the ConC2 (n = 1-5) cluster anions and neutrals. Our studies show that the structures of ConC2- (n = 1-5) can be described as attaching C-2 to the top sites, bridge sites, or hollow sites of the Con clusters. The C-2 retains an integral structure unit in the ConC2 (n = 1-5) cluster anions and neutrals, rather than being separated by the Con clusters. The C-2 unit in the ConC2 (n = 1-5) cluster anions and neutrals has the characteristics of a double-bond.
关键词[WOS]: ELECTRONIC-STRUCTURE ;  EQUILIBRIUM STRUCTURE ;  CORRELATION-ENERGY ;  CARBIDE CLUSTERS ;  TRANSITION ;  SPECTRA ;  CO ;  EXCHANGE ;  ANIONS ;  GROWTH
语种: 英语
WOS记录号: WOS:000332395700052
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/143177
Appears in Collections:中国科学院大连化学物理研究所_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.Huanghe Sci & Technol Coll, Inst Nanostruct Funct Mat, Zhengzhou 450006, Henan, Peoples R China

Recommended Citation:
Yuan, Jin-Yun,Xu, Hong-Guang,Zheng, Wei-Jun. Photoelectron spectroscopy and density functional study of ConC2- (n=1-5) clusters[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2014,16(11):5434-5439.
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