Photoelectron spectroscopy and density functional calculations of CunBO2(OH)(-) (n=1,2) clusters

	Photoelectron spectroscopy and density functional calculations of CunBO2(OH)(-) (n=1,2) clusters
	Feng, Yuan 1,2; Hou, Gao-Lei 1; Xu, Hong-Guang 1; Zhang, Zeng-Guang 1; Zheng, Wei-Jun 1
刊名	chemical physics letters
	2012-08-30
卷号	545 页码:21-25
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.
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]	electron-affinities ; superhalogens ; chloride ; origin ; anions ; br
收录类别	SCI
语种	英语
WOS记录号	WOS:000308199600004
公开日期	2015-11-10
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/138013]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
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
推荐引用方式 GB/T 7714	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.
APA	Feng, Yuan,Hou, Gao-Lei,Xu, Hong-Guang,Zhang, Zeng-Guang,&Zheng, Wei-Jun.(2012).Photoelectron spectroscopy and density functional calculations of CunBO2(OH)(-) (n=1,2) clusters.chemical physics letters,545,21-25.
MLA	Feng, Yuan,et al."Photoelectron spectroscopy and density functional calculations of CunBO2(OH)(-) (n=1,2) clusters".chemical physics letters 545(2012):21-25.