Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations
文献类型：期刊论文
| 作者 | Kong, Xiang-Yu1; Xu, Hong-Guang1; Koirala, Pratik2; Zheng, Wei-Jun1; Kandalam, Anil K.3; Jena, Puru4 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2014 |
| 卷号 | 16期号:47页码:26067-26074 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/c4cp04299a |
| 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. |
| 语种 | 英语 |
| WOS记录号 | WOS:000345208200045 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/50907]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zheng, Wei-Jun |
| 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. |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。