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学科主题物理化学
Probing the structural and electronic properties of AgnH- (n=1-3) using photoelectron imaging and theoretical calculations
Xie, Hua1; Xing, Xiaopeng2; Liu, Zhiling1; Cong, Ran1; Qin, Zhengbo1; Wu, Xia1; Tang, Zichao1; Fan, Hongjun1; Tang ZC(唐紫超); Fan HJ(樊红军)
刊名JOURNAL OF CHEMICAL PHYSICS
2012-05-14
DOI10.1063/1.4713938
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
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
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]
语种英语
WOS记录号WOS:000304140400023
引用统计
被引频次:8[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/117837
专题中国科学院大连化学物理研究所
通讯作者Tang ZC(唐紫超); Fan HJ(樊红军)
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
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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.
APA Xie, Hua.,Xing, Xiaopeng.,Liu, Zhiling.,Cong, Ran.,Qin, Zhengbo.,...&樊红军.(2012).Probing the structural and electronic properties of AgnH- (n=1-3) using photoelectron imaging and theoretical calculations.JOURNAL OF CHEMICAL PHYSICS,136(18),1843121.
MLA Xie, Hua,et al."Probing the structural and electronic properties of AgnH- (n=1-3) using photoelectron imaging and theoretical calculations".JOURNAL OF CHEMICAL PHYSICS 136.18(2012):1843121.
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