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题名: Photoelectron spectroscopy and density functional study of ConOH- (n=1-3)
作者: Li, Ren-Zhong1, 2;  Xu, Hong-Guang2;  Xu, Xi-Ling2;  Zheng, Wei-Jun2
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2014-06-27
DOI: 10.1016/j.cplett.2014.05.051
卷: 607, 页:105-109
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: investigated ConOH- (n = 1-3) clusters with photoelectron spectroscopy and density functional theory calculations. The vertical detachment energies of ConOH- (n = 1-3) were measured to be 1.41 +/- 0.04, 1.22 +/- 0.08, 1.62 +/- 0.08 eV, respectively. The electron affinity and term energy of CoOH neutral were determined to be 1.33 +/- 0.04 and 0.25 +/- 0.04 eV, respectively. The most probable geometries of CoOH- and Co2OH- were determined to be L-shaped structures, and that of Co3OH- can be considered as one of the Co atoms of Co-3 triangle bonded to the oxygen atom of OH group. The excess electron of the ConOH- anion is mainly localized on the Con site. (C) 2014 Elsevier B.V. All rights reserved.
关键词[WOS]: MATRIX-ISOLATION FTIR ;  INFRARED-SPECTRA ;  COBALT HYDROXIDE ;  WATER-MOLECULES ;  DIHYDROXIDE MOLECULES ;  EXCITATION-ENERGIES ;  LASER SPECTROSCOPY ;  MICROWAVE-SPECTRA ;  NICKEL-HYDROXIDE ;  METAL ATOMS
语种: 英语
WOS记录号: WOS:000338417400021
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145616
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.Xian Polytech Univ, Coll Elect & Informat, Xian 710048, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China

Recommended Citation:
Li, Ren-Zhong,Xu, Hong-Guang,Xu, Xi-Ling,et al. Photoelectron spectroscopy and density functional study of ConOH- (n=1-3)[J]. CHEMICAL PHYSICS LETTERS,2014,607:105-109.
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