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题名: Sonogashira cross-coupling on the Au(111) and Au(100) facets of gold nanorod catalysts: Experimental and computational investigation
作者: 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
发表日期: 2015-10-01
DOI: 10.1016/j.jcat.2015.07.020
卷: 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
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.
关键词[WOS]: HETEROGENEOUS PALLADIUM CATALYSTS ;  ASPECT-RATIO ;  METAL NANOPARTICLES ;  GROWTH ;  SURFACE ;  SHAPE ;  PHENYLACETYLENE ;  NANOCRYSTALS ;  IODOBENZENE ;  NANOCLUSTER
语种: 英语
WOS记录号: WOS:000362603200033
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/146587
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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