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Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations
Yuan, Jinyun1,2; Xu, Hong-Guang1; Kong, Xiangyu1; Zheng, Weijun1
Source PublicationCHEMICAL PHYSICS LETTERS
2013-03-28
DOI10.1016/j.cplett.2013.01.068
Volume564Pages:6-10
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordSCANDIUM OXIDE CLUSTERS ; ELECTRONIC-STRUCTURE ; SOLID ARGON ; GAS-PHASE ; METHANE ; SCON ; THERMOCHEMISTRY ; ACTIVATION ; EXCHANGE ; DIOXIDES
AbstractThe 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.
Language英语
WOS IDWOS:000316793900002
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/137959
Collection中国科学院大连化学物理研究所
Affiliation1.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
GB/T 7714
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.
APA Yuan, Jinyun,Xu, Hong-Guang,Kong, Xiangyu,&Zheng, Weijun.(2013).Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations.CHEMICAL PHYSICS LETTERS,564,6-10.
MLA Yuan, Jinyun,et al."Investigation of ScmOn- (m=2-5, n=2-3) clusters using photoelectron spectroscopy and density functional calculations".CHEMICAL PHYSICS LETTERS 564(2013):6-10.
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