Experimental and theoretical study of hydrogen atom abstraction from ethylene by stoichiometric zirconium oxide clusters
文献类型：期刊论文
| 作者 | Wu, Xiao-nan1,2; Zhao, Yan-xia1,2; He, Sheng-gui1; Ding, Xun-lei1 |
| 刊名 | Chinese journal of chemical physics
 |
| 出版日期 | 2009-12-27 |
| 卷号 | 22期号:6页码:635-641 |
| 关键词 | Time-of-flight mass spectrometer Zirconium oxide clusters Fast flow reactor Density functional theory Rice-ramsberger-kassel-marcus theory |
| ISSN号 | 1674-0068 |
| DOI | 10.1088/1674-0068/22/06/635-641 |
| 通讯作者 | He, sheng-gui(shengguihe@iccas.ac.cn) |
| 英文摘要 | The reactions of cationic zirconium oxide clusters (zr(x)o(y)(+)) with ethylene (c(2)h(4)) were investigated by using a time-of-flight mass spectrometer coupled with a laser ablation/supersonic expansion cluster source. some hydrogen containing products (zro(2))(x)h(+) (x=1-4) were observed after the reaction. the density functional theory calculations indicate that apart from the common oxygen transfer reaction channel, the hydrogen abstraction channel can also occur in (zro(2))(x)(+) + c(2)h(4), which supports that the observed (zro(2))(x)h(+) may be due to (zro(2))(x)(+) + c(2)h(4) -> (zro(2))(x)h(+) + c(2)h(3). the rate constants of different reaction channels were also calculated by rice-ramsberger-kassel-marcus theory. |
| WOS关键词 | VANADIUM-OXIDE ; PARTIAL OXIDATION ; BUILDING-BLOCKS ; CARBON-MONOXIDE ; GAS ; CATALYSTS ; METHANE ; DISCIPLINES ; ACTIVATION ; ACETYLENE |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Atomic, Molecular & Chemical |
| 语种 | 英语 |
| WOS记录号 | WOS:000273466600014 |
| 出版者 | CHINESE PHYSICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2394689 |
| 专题 | 中国科学院大学 |
| 通讯作者 | He, Sheng-gui |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, Xiao-nan,Zhao, Yan-xia,He, Sheng-gui,et al. Experimental and theoretical study of hydrogen atom abstraction from ethylene by stoichiometric zirconium oxide clusters[J]. Chinese journal of chemical physics,2009,22(6):635-641. |
| APA | Wu, Xiao-nan,Zhao, Yan-xia,He, Sheng-gui,&Ding, Xun-lei.(2009).Experimental and theoretical study of hydrogen atom abstraction from ethylene by stoichiometric zirconium oxide clusters.Chinese journal of chemical physics,22(6),635-641. |
| MLA | Wu, Xiao-nan,et al."Experimental and theoretical study of hydrogen atom abstraction from ethylene by stoichiometric zirconium oxide clusters".Chinese journal of chemical physics 22.6(2009):635-641. |
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来源：中国科学院大学
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