DICP OpenIR
Sonogashira cross-coupling on the Au(111) and Au(100) facets of gold nanorod catalysts: Experimental and computational investigation
Lin, Jizhi1,2,3; Abroshan, Hadi4; Liu, Chao1,2; Zhu, Manzhou3; Li, Gao1,2; Haruta, Masatake1,2
关键词Au Nanorods Dft Calculation Sonogashira Cross-coupling Au(111) Au(100)
刊名JOURNAL OF CATALYSIS
2015-10-01
DOI10.1016/j.jcat.2015.07.020
330页:354-361
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
类目[WOS]Chemistry, Physical ; Engineering, Chemical
研究领域[WOS]Chemistry ; Engineering
关键词[WOS]HETEROGENEOUS PALLADIUM CATALYSTS ; ASPECT-RATIO ; METAL NANOPARTICLES ; GROWTH ; SURFACE ; SHAPE ; PHENYLACETYLENE ; NANOCRYSTALS ; IODOBENZENE ; NANOCLUSTER
英文摘要The catalytic activity of well-defined gold nanorods enclosed by Au(111) and Au(100) surfaces is investigated for the Sonogashira cross-coupling reaction between phenylacetylene and 4-iodoanisole, which gives rise to two homo-coupling products (diphenyldiacetylene, PhC C-C Ph and 4,4'-dimethox y-1,1'-biphenyl, MeOC6H4-C6H4OMe) and a cross-coupling product (1-methoxy-4-(2-phenylethynyl)ben zene, Ph CC6H4OMe). This study shows that shorter nanorods (similar to 33 nm) with a higher percentage of Au(111) surface are considerably more selective toward the cross-coupling product (57% conversion with 90% selectivity). The selectivity of longer nanorods (e.g., 42 and 50 nm) with a higher percentage of Au(100) surface, as well as of corresponding shapeless gold nanoparticles (e.g., 2-4 and 20 nm), is found to be less than 59%. The catalytic mechanism of the homo- and cross-coupling reactions, in particular, roles played by Au(100) and Au(111) surfaces, is examined via OFT simulation. It is found that iodobenzene adsorption, C-I bond dissociation, reactant surface diffusion, and coupling reactions are more favorable on Au(111) than on Au(100). This work demonstrates the gold facet effect on catalytic coupling reactions, and the combined approach of experiment and theory permits mechanistic understanding at the molecular level. (C) 2015 Elsevier Inc. All rights reserved.
语种英语
WOS记录号WOS:000362603200033
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/146587
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Gold Catalysis Researcher Ctr, Dalian 116023, Peoples R China
3.Anhui Univ, Coll Chem & Chem Engn, Hefei 230601, Peoples R China
4.Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA
推荐引用方式
GB/T 7714
Lin, Jizhi,Abroshan, Hadi,Liu, Chao,et al. Sonogashira cross-coupling on the Au(111) and Au(100) facets of gold nanorod catalysts: Experimental and computational investigation[J]. JOURNAL OF CATALYSIS,2015,330:354-361.
APA Lin, Jizhi,Abroshan, Hadi,Liu, Chao,Zhu, Manzhou,Li, Gao,&Haruta, Masatake.(2015).Sonogashira cross-coupling on the Au(111) and Au(100) facets of gold nanorod catalysts: Experimental and computational investigation.JOURNAL OF CATALYSIS,330,354-361.
MLA Lin, Jizhi,et al."Sonogashira cross-coupling on the Au(111) and Au(100) facets of gold nanorod catalysts: Experimental and computational investigation".JOURNAL OF CATALYSIS 330(2015):354-361.
条目包含的文件
条目无相关文件。
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
[Lin, Jizhi]的文章
[Abroshan, Hadi]的文章
[Liu, Chao]的文章
百度学术
百度学术中相似的文章
[Lin, Jizhi]的文章
[Abroshan, Hadi]的文章
[Liu, Chao]的文章
必应学术
必应学术中相似的文章
[Lin, Jizhi]的文章
[Abroshan, Hadi]的文章
[Liu, Chao]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。