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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
刊名CHEMICAL PHYSICS LETTERS
2013-03-28
DOI10.1016/j.cplett.2013.01.068
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
关键词[WOS]SCANDIUM OXIDE CLUSTERS ; ELECTRONIC-STRUCTURE ; SOLID ARGON ; GAS-PHASE ; METHANE ; SCON ; THERMOCHEMISTRY ; ACTIVATION ; EXCHANGE ; DIOXIDES
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.
语种英语
WOS记录号WOS:000316793900002
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/137959
专题中国科学院大连化学物理研究所
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
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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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