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学科主题: 物理化学
题名: Photoelectron velocity-map imaging signature of structural evolution of silver-doped lead Zintl anions
作者: Xie, Hua1;  Qin, Zhengbo1;  Wu, Xia1;  Tang, Zichao1;  Jiang, Ling1
通讯作者: 唐紫超 ;  江凌
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2012-08-14
DOI: 10.1063/1.4745000
卷: 137, 期:6, 页:643181
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 11T2;1102
产权排名: 1,1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: A set of silver-doped lead Zintl anions, Ag@Pb-n(-) (n=5-12), have been studied using photoelectron velocity-map imaging spectroscopy and quantum chemical calculation. The structures of Ag@Pb-n(-) (n = 7-9, 11) built upon a square pyramid base, hitherto not considered, were assigned. Overall agreement between the experimental and calculated photoelectron spectra as well as vertical detachment energies allows for structural evolution to be established. The silver atom prefers to stay outside in the n <= 6 clusters and intends to be encapsulated by the lead atoms in n > 6. A stable endohedral cage with bicapped square antiprism structure is formed at n = 10, the endohedral structure of which persists for the larger clusters. Especially, these Ag@Pb-n(-) anions have been found to undergo a transition between square pyramid and pentagonal pyramid molecular structures at n = 11. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4745000]
关键词[WOS]: CLUSTER ANIONS ;  ENDOHEDRAL STANNASPHERENES ;  ELECTRONIC-STRUCTURE ;  MPB12 CLUSTERS ;  CAGE CLUSTERS ;  STABILITY ;  PB ;  PLUMBASPHERENE ;  PB-12(2-) ;  ION
语种: 英语
WOS记录号: WOS:000308048700036
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/118026
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, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Xie, Hua,Qin, Zhengbo,Wu, Xia,et al. Photoelectron velocity-map imaging signature of structural evolution of silver-doped lead Zintl anions[J]. JOURNAL OF CHEMICAL PHYSICS,2012,137(6):643181.
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