DICP OpenIR
学科主题物理化学
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)
刊名JOURNAL OF CHEMICAL PHYSICS
2013-07-21
DOI10.1063/1.4813631
139期:3页:034315
收录类别SCI
合作性质
文章类型Article
部门归属11
项目归属11T2,1102
产权排名待补充
WOS标题词Science & Technology ; Physical Sciences
资助者1,1 ; 1,1 ; 1,1 ; 1,1
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]SELF-ASSEMBLED MONOLAYERS ; CLUSTER NEGATIVE-IONS ; BASIS-SETS ; CRYSTAL-STRUCTURE ; AU(111) SURFACE ; PROTECTED AU-25 ; STAPLE MOTIFS ; NANOPARTICLES ; NANOCLUSTERS ; COMPLEXES
英文摘要Photoelectron 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.
语种英语
资助者1,1 ; 1,1 ; 1,1 ; 1,1
原文出处查看原文
WOS记录号WOS:000322203000034
引用统计
被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/119596
专题中国科学院大连化学物理研究所
通讯作者Tang ZC(唐紫超); Jiang L(江凌); Fan HJ(范红军)
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
推荐引用方式
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.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
2013Vix3wWXEQr.PDF(1240KB) 开放获取CC BY-NC-SA请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Qin, Zhengbo]的文章
[Cong, Ran]的文章
[Wu, Xia]的文章
百度学术
百度学术中相似的文章
[Qin, Zhengbo]的文章
[Cong, Ran]的文章
[Wu, Xia]的文章
必应学术
必应学术中相似的文章
[Qin, Zhengbo]的文章
[Cong, Ran]的文章
[Wu, Xia]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。