Structural and bonding properties of small TiGen- (n = 2-6) clusters: photoelectron spectroscopy and density functional calculations
文献类型：期刊论文
| 作者 | Deng, Xiao-Jiao; Kong, Xiang-Yu; Xu, Xi-Ling; Xu, Hong-Guang; Zheng, Wei-Jun |
| 刊名 | rsc advances
 |
| 出版日期 | 2014 |
| 卷号 | 4期号:49页码:25963-25968 |
| 英文摘要 | a number of small tigen- (n =2-6) clusters were investigated using anion photoelectron spectroscopy and density functional theory calculations. their structures were determined by comparison of the theoretical vertical detachment energies and simulated spectra of the low-lying isomers with the experimental results. the most stable structure of tigen- (n = 2-6) clusters can be considered as a ti atom substituting one of the ge atoms in the corresponding gen+1 cluster or a ti atom capping a ge-n cluster. the homos of tigen- (n = 2-6) clusters are mainly localized on the ti atom and the ge atoms interacting directly with the ti atom. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, multidisciplinary |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | germanium clusters ; orbitals ; thermochemistry ; anions |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000338434500065 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/145670]  |
| 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 | Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Deng, Xiao-Jiao,Kong, Xiang-Yu,Xu, Xi-Ling,et al. Structural and bonding properties of small TiGen- (n = 2-6) clusters: photoelectron spectroscopy and density functional calculations[J]. rsc advances,2014,4(49):25963-25968. |
| APA | Deng, Xiao-Jiao,Kong, Xiang-Yu,Xu, Xi-Ling,Xu, Hong-Guang,&Zheng, Wei-Jun.(2014).Structural and bonding properties of small TiGen- (n = 2-6) clusters: photoelectron spectroscopy and density functional calculations.rsc advances,4(49),25963-25968. |
| MLA | Deng, Xiao-Jiao,et al."Structural and bonding properties of small TiGen- (n = 2-6) clusters: photoelectron spectroscopy and density functional calculations".rsc advances 4.49(2014):25963-25968. |
入库方式： OAI收割
来源：大连化学物理研究所
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