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
KeywordAu Nanorods Dft Calculation Sonogashira Cross-coupling Au(111) Au(100)
Source PublicationJOURNAL OF CATALYSIS
2015-10-01
DOI10.1016/j.jcat.2015.07.020
Volume330Pages:354-361
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Physical ; Engineering, Chemical
WOS Research AreaChemistry ; Engineering
WOS KeywordHETEROGENEOUS PALLADIUM CATALYSTS ; ASPECT-RATIO ; METAL NANOPARTICLES ; GROWTH ; SURFACE ; SHAPE ; PHENYLACETYLENE ; NANOCRYSTALS ; IODOBENZENE ; NANOCLUSTER
AbstractThe 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.
Language英语
WOS IDWOS:000362603200033
Citation statistics
Cited Times:28[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/146587
Collection中国科学院大连化学物理研究所
Affiliation1.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
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.
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
[Lin, Jizhi]'s Articles
[Abroshan, Hadi]'s Articles
[Liu, Chao]'s Articles
Baidu academic
Similar articles in Baidu academic
[Lin, Jizhi]'s Articles
[Abroshan, Hadi]'s Articles
[Liu, Chao]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Lin, Jizhi]'s Articles
[Abroshan, Hadi]'s Articles
[Liu, Chao]'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.