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题名: Structure of Au-4(0/-1) in the gas phase: A joint geometry relaxed ab initio calculations and vibrationally resolved photoelectron imaging investigation
作者: Liu, Zhiling1;  Qin, Zhengbo1;  Xie, Hua1;  Cong, Ran1;  Wu, Xia1;  Tang, Zichao1
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2013-09-07
DOI: 10.1063/1.4819789
卷: 139, 期:9
收录类别: SCI
文章类型: Article
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: We have combined photoelectron velocity-map imaging spectroscopy and high-level ab initio calculations to elucidate the geometries of Au-4(0/-1). Well-resolved ground-state electronic transition was observed in the photoelectron spectrum of Au-4 at 446 nm, leading to more accurate electron affinity and vibrational frequencies for the ground state of the neutral Au-4 . The pure and vibrationally resolved spectra provide definitive experimental evidence for the resolution of the ground-state gold tetramer in the gaseous phase, with the aid of the ab initio calculations and Franck-Condon simulations. The comprehensive comparisons between the experiment and theoretical calculations suggest that the Y-shaped structure is the global minimum for both the neutral and anionic Au-4. (C) 2013 AIP Publishing LLC.
关键词[WOS]: ANIONIC GOLD CLUSTERS ;  THEORETICAL CHEMISTRY ;  ELECTRONIC-PROPERTIES ;  METAL-CLUSTERS ;  DENSITY ;  SPECTROSCOPY ;  NANOCLUSTERS ;  SPECTRA ;  PLANAR ;  POTENTIALS
语种: 英语
WOS记录号: WOS:000324378400025
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/137984
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, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China

Recommended Citation:
Liu, Zhiling,Qin, Zhengbo,Xie, Hua,et al. Structure of Au-4(0/-1) in the gas phase: A joint geometry relaxed ab initio calculations and vibrationally resolved photoelectron imaging investigation[J]. JOURNAL OF CHEMICAL PHYSICS,2013,139(9).
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