Combined Experimental and Theoretical Investigation on the Selectivities of Ag, Au, and Pt Catalysts for Hydrogenation of Crotonaldehyde
文献类型：期刊论文
| 作者 | Yang, Xiaofeng1,2,3; Wang, Aiqin1; Wang, Xiaodong1; Zhang, Tao1; Han, Keli4; Li, Jun2 |
| 刊名 | journal of physical chemistry c
 |
| 出版日期 | 2009-12-10 |
| 卷号 | 113期号:49页码:20918-20926 |
| 英文摘要 | a parallel study on silver, gold, and platinum catalysts with inert silica support is conducted both experimentally and theoretically for the liquid-phase hydrogenation of crotonaldehyde (me-ch=ch-ch=o). we find that the silver catalyst exhibits a uniquely high selectivity toward c=o hydrogenation and the selectivity remains constant even at the conversion close to 100%. the gold catalyst, however, shows only a moderate selectivity whereas the platinum catalyst has a rather poor selectivity. such variation in selectivity is interpreted in terms of the varied adsorption geometries of the crotonaldehyde on different metals. according to our density functional calculations of the chemisorptions of crotonaldehyde on selected m(19) (m = ag, au, and pt) model clusters and m(111) surface, the most favored adsorption mode for silver is the c=o oxygen atom being a-bonded on low-coordinated silver atoms, which results in activation of the c=o bond. in contrast, so-called eta(4) and di-sigma(c=c) modes are preferred on pt surface, while a pi(c=c) adsorption mode is favored on low-coordinated gold atoms, which leads to the preference of c=c hydrogenation. moreover, the calculations indicate that the selectivity to c=o hydrogenation is more favored on smaller silver nanoparticles. this implication has been further corroborated experimentally by investigation of silver catalysts with different particle sizes. |
| WOS标题词 | science & technology ; physical sciences ; technology |
| 类目[WOS] | chemistry, physical ; nanoscience & nanotechnology ; materials science, multidisciplinary |
| 研究领域[WOS] | chemistry ; science & technology - other topics ; materials science |
| 关键词[WOS] | supported gold nanoparticles ; beta-unsaturated aldehydes ; alpha,beta-unsaturated aldehydes ; acrolein hydrogenation ; structure sensitivity ; active-sites ; adsorption structures ; structural-properties ; carbonyl-compounds ; silver catalysts |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000272333500020 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/141379]  |
| 专题 | 大连化学物理研究所_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.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China 3.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China 4.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 | Yang, Xiaofeng,Wang, Aiqin,Wang, Xiaodong,et al. Combined Experimental and Theoretical Investigation on the Selectivities of Ag, Au, and Pt Catalysts for Hydrogenation of Crotonaldehyde[J]. journal of physical chemistry c,2009,113(49):20918-20926. |
| APA | Yang, Xiaofeng,Wang, Aiqin,Wang, Xiaodong,Zhang, Tao,Han, Keli,&Li, Jun.(2009).Combined Experimental and Theoretical Investigation on the Selectivities of Ag, Au, and Pt Catalysts for Hydrogenation of Crotonaldehyde.journal of physical chemistry c,113(49),20918-20926. |
| MLA | Yang, Xiaofeng,et al."Combined Experimental and Theoretical Investigation on the Selectivities of Ag, Au, and Pt Catalysts for Hydrogenation of Crotonaldehyde".journal of physical chemistry c 113.49(2009):20918-20926. |
入库方式： OAI收割
来源：大连化学物理研究所
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