DICP OpenIR
Structure of Au-4(0/-1) in the gas phase: A joint geometry relaxed ab initio calculations and vibrationally resolved photoelectron imaging investigation
Liu, Zhiling; Qin, Zhengbo; Xie, Hua; Cong, Ran; Wu, Xia; Tang, Zichao
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2013-09-07
DOI10.1063/1.4819789
Volume139Issue:9
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordANIONIC GOLD CLUSTERS ; THEORETICAL CHEMISTRY ; ELECTRONIC-PROPERTIES ; METAL-CLUSTERS ; DENSITY ; SPECTROSCOPY ; NANOCLUSTERS ; SPECTRA ; PLANAR ; POTENTIALS
AbstractWe have combined photoelectron velocity-map imaging spectroscopy and high-level ab initio calculations to elucidate the geometries of Au-4(0/-1). Well-resolved ground-state electronic transition was observed in the photoelectron spectrum of Au-4 at 446 nm, leading to more accurate electron affinity and vibrational frequencies for the ground state of the neutral Au-4 . The pure and vibrationally resolved spectra provide definitive experimental evidence for the resolution of the ground-state gold tetramer in the gaseous phase, with the aid of the ab initio calculations and Franck-Condon simulations. The comprehensive comparisons between the experiment and theoretical calculations suggest that the Y-shaped structure is the global minimum for both the neutral and anionic Au-4. (C) 2013 AIP Publishing LLC.
Language英语
WOS IDWOS:000324378400025
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/137984
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Liu, Zhiling,Qin, Zhengbo,Xie, Hua,et al. Structure of Au-4(0/-1) in the gas phase: A joint geometry relaxed ab initio calculations and vibrationally resolved photoelectron imaging investigation[J]. JOURNAL OF CHEMICAL PHYSICS,2013,139(9).
APA Liu, Zhiling,Qin, Zhengbo,Xie, Hua,Cong, Ran,Wu, Xia,&Tang, Zichao.(2013).Structure of Au-4(0/-1) in the gas phase: A joint geometry relaxed ab initio calculations and vibrationally resolved photoelectron imaging investigation.JOURNAL OF CHEMICAL PHYSICS,139(9).
MLA Liu, Zhiling,et al."Structure of Au-4(0/-1) in the gas phase: A joint geometry relaxed ab initio calculations and vibrationally resolved photoelectron imaging investigation".JOURNAL OF CHEMICAL PHYSICS 139.9(2013).
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Liu, Zhiling]'s Articles
[Qin, Zhengbo]'s Articles
[Xie, Hua]'s Articles
Baidu academic
Similar articles in Baidu academic
[Liu, Zhiling]'s Articles
[Qin, Zhengbo]'s Articles
[Xie, Hua]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Liu, Zhiling]'s Articles
[Qin, Zhengbo]'s Articles
[Xie, Hua]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

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