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题名: Photoelectron spectroscopy and density functional calculations of CunBO2(OH)(-) (n=1,2) clusters
作者: Feng, Yuan1, 2;  Hou, Gao-Lei1;  Xu, Hong-Guang1;  Zhang, Zeng-Guang1;  Zheng, Wei-Jun1
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2012-08-30
DOI: 10.1016/j.cplett.2012.07.030
卷: 545, 页:21-25
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: CunBO2(OH)(-) (n = 1, 2) clusters were studied by anion photoelectron spectroscopy and density functional calculations. From the experimental photoelectron spectra, the adiabatic detachment energy (ADE) and vertical detachment energy (VDE) of CuBO2(OH)(-) are determined to be 4.00 +/- 0.08 and 4.26 +/- 0.08 eV, and those of Cu2BO2(OH)(-) to be 2.30 +/- 0.08 and 2.58 +/- 0.08 eV. The structures of CunBO2(OH (-) and their corresponding neutrals are assigned by comparison between theoretical calculations and experimental measurements. Both experiment and theory show that CuBO2(OH) can be viewed as a superhalogen, thus, confirmed that OH can behave like a halogen atom to participate in superhalogen formation. (C) 2012 Elsevier B. V. All rights reserved.
关键词[WOS]: ELECTRON-AFFINITIES ;  SUPERHALOGENS ;  CHLORIDE ;  ORIGIN ;  ANIONS ;  BR
语种: 英语
WOS记录号: WOS:000308199600004
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138013
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, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
2.Hefei Normal Univ, Sch Elect & Informat Engn, Hefei 230601, Peoples R China

Recommended Citation:
Feng, Yuan,Hou, Gao-Lei,Xu, Hong-Guang,et al. Photoelectron spectroscopy and density functional calculations of CunBO2(OH)(-) (n=1,2) clusters[J]. CHEMICAL PHYSICS LETTERS,2012,545:21-25.
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