DICP OpenIR
Subject Area物理化学
Photoelectron velocity-map imaging spectroscopic and theoretical study on the reactivity of the gold atom toward CH3SH, CH3OH, and H2O
Qin, Zhengbo; Cong, Ran; Wu, Xia; Liu, Zhiling; Xie, Hua; Tang, Zichao; Jiang, Ling; Fan, Hongjun; Tang ZC(唐紫超); Jiang L(江凌); Fan HJ(范红军)
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2013-07-21
DOI10.1063/1.4813631
Volume139Issue:3Pages:034315
Indexed BySCI
Cooperation Status
SubtypeArticle
Department11
Funding Project11T2,1102
Contribution Rank待补充
WOS HeadingsScience & Technology ; Physical Sciences
Funding Organization1,1 ; 1,1 ; 1,1 ; 1,1
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordSELF-ASSEMBLED MONOLAYERS ; CLUSTER NEGATIVE-IONS ; BASIS-SETS ; CRYSTAL-STRUCTURE ; AU(111) SURFACE ; PROTECTED AU-25 ; STAPLE MOTIFS ; NANOPARTICLES ; NANOCLUSTERS ; COMPLEXES
AbstractPhotoelectron velocity-map imaging spectroscopy has been used to study the reaction of the anionic gold atom with the HR (R = SCH3, OCH3, OH) molecules. The solvated [Au center dot center dot center dot HR](-) and inserted [HAuR](-) products have been experimentally observed for R = SCH3, whereas only solvated [Au center dot center dot center dot HR](-) products were found for R = OCH3 and OH. This significant difference in the photoelectron spectra suggests the different reactivity of the Au- toward the CH3SH, CH3OH, and H2O molecules. Second order Moller-Plesset perturbation theory and coupled-cluster single double triple excitation calculations have been performed to aid the structural assignment of the spectra and to explore the reaction mechanism. Activation energies for the isomerizations of the solvated structures to the inserted ones in the Au-/Au + HR reactions (R = OCH3 and OH) are predicted to be much higher than those for the Au-/Au + CH3SH reactions, supporting the experimental observation. Theoretical calculations provide the evidence that the intriguing [HAuSCH3](-) product may be formed by the attachment of the electron onto the neutral HAuSCH3 species or the isomerization from the anionic [Au center dot center dot center dot HSCH3](-) one. These findings should be helpful for understanding the feature that the thiols are able to form the staple motifs, whereas CH3OH and H2O are not. (C) 2013 AIP Publishing LLC.
Language英语
Funding Organization1,1 ; 1,1 ; 1,1 ; 1,1
URL查看原文
WOS IDWOS:000322203000034
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/119596
Collection中国科学院大连化学物理研究所
Corresponding AuthorTang ZC(唐紫超); Jiang L(江凌); Fan HJ(范红军)
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Qin, Zhengbo,Cong, Ran,Wu, Xia,et al. Photoelectron velocity-map imaging spectroscopic and theoretical study on the reactivity of the gold atom toward CH3SH, CH3OH, and H2O[J]. JOURNAL OF CHEMICAL PHYSICS,2013,139(3):034315.
APA Qin, Zhengbo.,Cong, Ran.,Wu, Xia.,Liu, Zhiling.,Xie, Hua.,...&范红军.(2013).Photoelectron velocity-map imaging spectroscopic and theoretical study on the reactivity of the gold atom toward CH3SH, CH3OH, and H2O.JOURNAL OF CHEMICAL PHYSICS,139(3),034315.
MLA Qin, Zhengbo,et al."Photoelectron velocity-map imaging spectroscopic and theoretical study on the reactivity of the gold atom toward CH3SH, CH3OH, and H2O".JOURNAL OF CHEMICAL PHYSICS 139.3(2013):034315.
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