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学科主题: 物理化学
题名: Probing the structural and electronic properties of AgnH- (n=1-3) using photoelectron imaging and theoretical calculations
作者: Xie, Hua1;  Xing, Xiaopeng2;  Liu, Zhiling1;  Cong, Ran1;  Qin, Zhengbo1;  Wu, Xia1;  Tang, Zichao1;  Fan, Hongjun1
通讯作者: 唐紫超 ;  樊红军
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2012-05-14
DOI: 10.1063/1.4713938
卷: 136, 期:18, 页:1843121
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
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: Structural and electronic properties of silver hydride cluster anions (AgnH-; n = 1-3) have been explored by combining the negative ion photoelectron imaging spectroscopy and theoretical calculations. The photoelectron spectrum of AgH- exhibits transitions from AgH-2 Sigma(+) to AgH (1)Sigma(+) and AgH (3)Sigma(+), with the electron affinity (EA) 0.57(3) eV. For Ag2H-, the only observed transition is from Ag2H(-) (C-infinity nu) (1)Sigma(+) to Ag2H (C-2 nu)(2)A' and the electron affinity is 2.56(5) eV. Two obvious electron bands are observed in photoelectron imaging of Ag3H-, which are assigned to the transitions from Ag3H- (C-2 nu-T, which means C-2 nu geometry with top site hydrogen) B-2(2) to Ag3H (C-2 nu-T) (1)A(1) and Ag3H (C-2 nu-T) B-3(2). The electron affinity is determined to be 1.61(9) eV. The Ag-H stretching modes in the ground states of AgH and Ag2H are experimentally resolved and their frequencies are measured to be 1710(80) and 1650(100) cm(-1), respectively. Aside from the above EAs and the vibrational frequencies, the vertical detachment energies to all ground states and some excited states of AgnH (n = 1-3) are also obtained. Theoretical calculations reproduce the experimental energies quite well, and the results are used to assign the geometries and electronic states for all related species. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4713938]
关键词[WOS]: SILVER CLUSTER HYDRIDES ;  COINAGE METAL-HYDRIDES ;  H-1 MAS NMR ;  HYDROGEN ADSORPTION ;  INFRARED-SPECTRA ;  EXCITED-STATES ;  AGH MOLECULE ;  BASIS-SETS ;  SPECTROSCOPY ;  ATOMS
语种: 英语
WOS记录号: WOS:000304140400023
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/117837
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
2.Chinese Acad Sci, Grad Univ, Coll Mat Sci & Optoelect Technol, Beijing 100049, Peoples R China

Recommended Citation:
Xie, Hua,Xing, Xiaopeng,Liu, Zhiling,et al. Probing the structural and electronic properties of AgnH- (n=1-3) using photoelectron imaging and theoretical calculations[J]. JOURNAL OF CHEMICAL PHYSICS,2012,136(18):1843121.
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