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题名: Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations
作者: Yuan, Jinyun1, 2;  Xu, Hong-Guang1;  Kong, Xiangyu1;  Zheng, Weijun1
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2013-03-28
DOI: 10.1016/j.cplett.2013.01.068
卷: 564, 页:6-10
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: The ScmOn- (m = 2-5, n = 2-3) cluster anions were investigated using photoelectron spectroscopy and density functional theory (DFT) calculations. The adiabatic detachment energies (ADEs) and vertical detachment energies (VDEs) of these cluster anions were estimated from their photoelectron spectra. The most probable structures of ScmOn (m = 2-5, n = 2-3) cluster anions and neutrals were determined by combining DFT calculations with the photoelectron spectroscopy experiments. The structures of ScmOn- (m = 2-5, n = 2-3) can be characterized as attaching oxygen atoms to the top sites, bridge sites, or hollow sites of Scm clusters. There is no direct interaction between the oxygen atoms. (C) 2013 Elsevier B.V. All rights reserved.
关键词[WOS]: SCANDIUM OXIDE CLUSTERS ;  ELECTRONIC-STRUCTURE ;  SOLID ARGON ;  GAS-PHASE ;  METHANE ;  SCON ;  THERMOCHEMISTRY ;  ACTIVATION ;  EXCHANGE ;  DIOXIDES
语种: 英语
WOS记录号: WOS:000316793900002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/137959
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, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Huanghe Sci & Technol Coll, Inst Nanostruct Funct Mat, Zhengzhou 450006, Henan, Peoples R China

Recommended Citation:
Yuan, Jinyun,Xu, Hong-Guang,Kong, Xiangyu,et al. Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations[J]. CHEMICAL PHYSICS LETTERS,2013,564:6-10.
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