Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations

	Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations
	Kong, Xiang-Yu 1; Xu, Hong-Guang 1; Koirala, Pratik 2; Zheng, Wei-Jun 1; Kandalam, Anil K.3; Jena, Puru 4
刊名	physical chemistry chemical physics
	2014
卷号	16 期号:47 页码:26067-26074
英文摘要	the electronic and structural properties of neutral and anionic ag-n(bo2)(m) (n = 1-3, m = 1-2) clusters are investigated by using mass-selected anion photoelectron spectroscopy and density functional theory calculations. agreement between the measured and calculated vertical detachment energies (vdes) allows us to validate the equilibrium geometries of [ag-n(bo2)(m)](-) clusters obtained from theory. the ground state structures of anionic ag-2(bo2) and ag-n(bo2)(2) (n = 1-3) clusters are found to be very different from those of their neutral counterparts. the structures of anionic clusters are chain-like while those of the neutral clusters are closed-rings. the presence of multiple isomers for [ag-2(bo2)(2)](-) and [ag-3(bo2)(2)](-) in the cluster beam has also been confirmed. several of these clusters are found to be hyperhalogens.
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]	ab-initio ; ionization-potentials ; superhalogen anions ; electron-affinities ; br ; stability ; 1st ; cl ; thermochemistry ; mh(k+1)(-)
收录类别	SCI
语种	英语
WOS记录号	WOS:000345208200045
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/145535]
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, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China 2.Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA 3.W Chester Univ, Dept Phys, W Chester, PA 19383 USA 4.Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA
推荐引用方式 GB/T 7714	Kong, Xiang-Yu,Xu, Hong-Guang,Koirala, Pratik,et al. Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations[J]. physical chemistry chemical physics,2014,16(47):26067-26074.
APA	Kong, Xiang-Yu,Xu, Hong-Guang,Koirala, Pratik,Zheng, Wei-Jun,Kandalam, Anil K.,&Jena, Puru.(2014).Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations.physical chemistry chemical physics,16(47),26067-26074.
MLA	Kong, Xiang-Yu,et al."Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations".physical chemistry chemical physics 16.47(2014):26067-26074.