Photoelectron spectroscopy and density functional theory study of TiAlOy- (y=1-3) and TiAl2Oy- (y=2-3) clusters
文献类型：期刊论文
| 作者 | Zhang, Zeng-Guang; Xu, Hong-Guang; Zhao, Yuchao; Zheng, Weijun |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2010-10-21 |
| 卷号 | 133期号:15 |
| 英文摘要 | small titanium-aluminum oxide clusters, tialoy- (y = 1-3) and tial(2)oy(-) (y = 2 - 3), were studied by using anion photoelectron spectroscopy. the adiabatic detachment energies of tialoy- (y = 1-3) were estimated to be 1.11 +/- 0.05, 1.70 +/- 0.08, and 2.47 +/- 0.08 ev based on their photoelectron spectra; those of tial2o2- and tial2o3- were estimated to be 1.17 +/- 0.08 and 2.2 +/- 0.1 ev, respectively. the structures of these clusters were determined by comparison of density functional calculations with the experimental results. the structure of tialo- is nearly linear with the o atom in the middle. that of tialo2- is a kite-shaped structure. tialo3- has a kite-shaped tialo2 unit with the third o atom attaching to the ti atom. tial2o2- has two nearly degenerate al-o-ti-o-al chain structures that can be considered as cis and trans forms. tial2o3 has two low-lying isomers, kite structure and book structure. the structures of these clusters indicate that the ti atom tends to bind to more o atoms. (c) 2010 american institute of physics. [doi:10.1063/1.3505298] |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, atomic, molecular & chemical |
| 研究领域[WOS] | physics |
| 关键词[WOS] | titanium-oxide clusters ; lying electronic states ; al3on-n=1-3 clusters ; gas-phase titanium ; oxygen clusters ; dioxide clusters ; infrared-spectra ; (tio2)(n) n=1-4 ; aluminum atoms ; solid argon |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000283359300035 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/141870]  |
| 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 | Zhang, Zeng-Guang,Xu, Hong-Guang,Zhao, Yuchao,et al. Photoelectron spectroscopy and density functional theory study of TiAlOy- (y=1-3) and TiAl2Oy- (y=2-3) clusters[J]. journal of chemical physics,2010,133(15). |
| APA | Zhang, Zeng-Guang,Xu, Hong-Guang,Zhao, Yuchao,&Zheng, Weijun.(2010).Photoelectron spectroscopy and density functional theory study of TiAlOy- (y=1-3) and TiAl2Oy- (y=2-3) clusters.journal of chemical physics,133(15). |
| MLA | Zhang, Zeng-Guang,et al."Photoelectron spectroscopy and density functional theory study of TiAlOy- (y=1-3) and TiAl2Oy- (y=2-3) clusters".journal of chemical physics 133.15(2010). |
入库方式： OAI收割
来源：大连化学物理研究所
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