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题名: Vibrationally Resolved Photoelectron Imaging of Au3H-
作者: Liu, Zhiling1;  Qin, Zhengbo1;  Wu, Xia1;  Xie, Hua1;  Cong, Ran1;  Tang, Zichao1
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2014-02-13
DOI: 10.1021/jp411639r
卷: 118, 期:6, 页:1031-1037
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: We report a combined photoelectron velocity map imaging spectroscopy and density functional theory investigation on the Au3H- anion. Transition between the anionic electronic ground state and the neutral electronic ground state is revealed. Vibrationally resolved spectra were recorded at two different photon energies, providing a wealth of spectroscopic information for the electronic ground state of the Au3H. Franck-Condon simulations of the ground-state transition are carried out to assist in the assignment of the vibrationally resolved spectra. The electron affinity and vertical detachment energy of Au3H are measured to be 2.548 +/- 0.001 and 2.570 +/- 0.001 eV, respectively. Three stretching vibrational modes are determined to be activated upon photodetachment, with the frequencies of 2100 +/- 100, 177 +/- 10, and 96 +/- 10 cm(-1).
关键词[WOS]: MATRIX INFRARED-SPECTRA ;  TRANSFORM EMISSION-SPECTROSCOPY ;  COINAGE METAL-HYDRIDES ;  DFT CALCULATIONS ;  GOLD CLUSTERS ;  THEORETICAL CHEMISTRY ;  SOLID HYDROGEN ;  MP2 ENERGY ;  BASIS-SETS ;  MH4-M
语种: 英语
WOS记录号: WOS:000331493500009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145741
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:
Liu, Zhiling,Qin, Zhengbo,Wu, Xia,et al. Vibrationally Resolved Photoelectron Imaging of Au3H-[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2014,118(6):1031-1037.
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