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 |
| ISSN号 | 1674-0068 |
| 关键词 | Time-of-flight Mass Spectrometer Zirconium Oxide Clusters Fast Flow Reactor Density Functional Theory Rice-ramsberger-kassel-marcus Theory |
| DOI | 10.1088/1674-0068/22/06/635-641 |
| 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. |
| 语种 | 英语 |
| 出版者 | CHINESE PHYSICAL SOC |
| WOS记录号 | WOS:000273466600014 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/66071]  |
| 专题 | 中国科学院化学研究所 |
| 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. |
入库方式： OAI收割
来源：化学研究所
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