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: Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory
作者: Liu, Zhiling1;  Xie, Hua1;  Qin, Zhengbo1;  Cong, Ran1;  Wu, Xia1;  Tang, Zichao1;  Lu, Xin2, 3;  He, Jian4
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2012-11-28
DOI: 10.1063/1.4768004
卷: 137, 期:20
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: Photodetachment of platinum carbonyl anions Pt(CO)(n)(-) (n = 1, 3) had been previously investigated using traditional photoelectron spectroscopy (PES) [G.S. Icking-Konert, H. Handschuh, G. Gantefor, and W. Eberhardt, Phys. Rev. Lett. 76, 1047 (1996); B. Chatterjee, F.A. Akin, C.C. Jarrold, and K. Raghavachari, J. Chem. Phys. 119, 10591 (2003)]. Here, we studied Pt(CO)(n)(-) (n = 1-3) using photoelectron velocity-map imaging method and extensive theoretical calculations. Vibrationally resolved spectra from photoelectron imaging experiments allow determination of the electron affinities of Pt(CO)(n), which are 1.196 +/- 0.034, 0.930 +/- 0.042, and 1.253 +/- 0.032 eV for n = 1, 2, and 3, respectively. Two vibrational progressions are resolved for the ground states of Pt(CO) and Pt(CO) 3, while only one is resolved for that of Pt(CO)(2). The frequencies are determined to be 2089 +/- 91 and 581 +/- 21 cm(-1) for Pt(CO), 2173 +/- 115 cm(-1) for Pt(CO)(2) and 2119 +/- 88 and 444 +/- 18 cm(-1) for Pt(CO)(3). Results from density functional theory and ab initio calculations agreed well with the experimental observations. The spectra were well reproduced by Franck-Condon fitting on the basis of the optimized geometries and the theoretical frequencies. The well-resolved PES also provided valuable benchmarks for various density functionals (B3LYP, BP86, and PW91PW91) for the platinum carbonyls. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4768004]
关键词[WOS]: VALENCE PHOTOEMISSION SPECTRA ;  COLLISION-INDUCED DISSOCIATION ;  DENSITY-FUNCTIONAL THEORY ;  ELECTRONIC-STRUCTURES ;  RAMAN-SPECTROSCOPY ;  BINDING-ENERGIES ;  BASIS-SETS ;  CO ;  PD ;  ATOMS
语种: 英语
WOS记录号: WOS:000312252100027
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142977
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, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China
3.Xiamen Univ, Coll Chem & Chem Engn, Fujian Prov Key Lab Theoret & Computat Chem, Dept Chem, Xiamen 361005, Peoples R China
4.Xiamen Univ, Inst Phys & Mech & Elect Engn, Lab Anal Instrument, Xiamen 361005, Peoples R China

Recommended Citation:
Liu, Zhiling,Xie, Hua,Qin, Zhengbo,et al. Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory[J]. JOURNAL OF CHEMICAL PHYSICS,2012,137(20).
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Liu, Zhiling]'s Articles
 [Xie, Hua]'s Articles
 [Qin, Zhengbo]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Liu, Zhiling]‘s Articles
 [Xie, Hua]‘s Articles
 [Qin, Zhengbo]‘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