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题名: Photoelectron spectroscopy and density functional theory study of ConO- (n=1-3)
作者: Li, Ren-Zhong1, 2;  Liang, Jun3;  Xu, Xi-Ling2;  Xu, Hong-Guang2;  Zheng, Wei-Jun2
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2013-06-21
DOI: 10.1016/j.cplett.2013.04.066
卷: 575, 页:12-17
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: ConO- (n = 1-3) clusters were investigated with photoelectron spectroscopy and density functional calculations. The vertical detachment energies (VDEs) of ConO- (n = 1-3) were measured to be 1.54 +/- 0.04, 1.43 +/- 0.08, and 1.42 +/- 0.08 eV respectively from their photoelectron spectra. The electron affinity and term energy of CoO were determined to be 1.54 +/- 0.04 eV and 0.31 +/- 0.04 eV respectively based on the vibrationally resolved photoelectron spectrum of CoO- and theoretical calculations. The structures of ConO- (n = 1-3) were determined by comparison of photoelectron experiments and calculations. The analysis of molecular orbitals shows that the HOMOs of ConO- (n = 1-3) cluster anions are mainly localized on the Co atoms. (C) 2013 Elsevier B. V. All rights reserved.
关键词[WOS]: TRANSITION-METAL MONOXIDES ;  ELECTRONIC-STRUCTURE ;  COBALT OXIDE ;  EXCITATION-ENERGIES ;  CLUSTER CATIONS ;  CARBON-MONOXIDE ;  N CLUSTERS ;  GAS-PHASE ;  STATES ;  OXIDATION
语种: 英语
WOS记录号: WOS:000320720500002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/137953
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, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
3.Anhui Normal Univ, Coll Phys & Elect Informat, Wuhu 241000, Peoples R China

Recommended Citation:
Li, Ren-Zhong,Liang, Jun,Xu, Xi-Ling,et al. Photoelectron spectroscopy and density functional theory study of ConO- (n=1-3)[J]. CHEMICAL PHYSICS LETTERS,2013,575:12-17.
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