中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Photoelectron spectroscopy and density functional theory study of TiAlOy- (y=1-3) and TiAl2Oy- (y=2-3) clusters
作者: Zhang, Zeng-Guang1;  Xu, Hong-Guang1;  Zhao, Yuchao1;  Zheng, Weijun1
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2010-10-21
DOI: 10.1063/1.3505298
卷: 133, 期:15
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
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]
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
语种: 英语
WOS记录号: WOS:000283359300035
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141870
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


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

Recommended Citation:
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).
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Zhang, Zeng-Guang]'s Articles
 [Xu, Hong-Guang]'s Articles
 [Zhao, Yuchao]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Zhang, Zeng-Guang]‘s Articles
 [Xu, Hong-Guang]‘s Articles
 [Zhao, Yuchao]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace