Reactions of V4O10+ cluster ions with simple inorganic and organic molecules
文献类型：期刊论文
| 作者 | Yuan, Zhen1,2; Zhao, Yan-Xia1; Li, Xiao-Na1; He, Sheng-Gui1 |
| 刊名 | INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
 |
| 出版日期 | 2013-11-15 |
| 卷号 | 354页码:105-112 |
| 关键词 | Mass Spectrometry Density Functional Computations Oxygen-centered Radicals Reaction Mechanisms Hydrogen Atom Transfer Vanadium Oxide |
| ISSN号 | 1387-3806 |
| DOI | 10.1016/j.ijms.2013.06.004 |
| 英文摘要 | The reactivity of mass-selected V4O10+ cluster ions toward hydrocarbon molecules including CH4, C2H4, and C2H6 was explored in the references case by case. Herein, further systematic studies on the reactions of V4O10+ with simple inorganic and organic molecules (H-2, CO, CH4, C2H2, C2H4, and C2H6) are presented. The vanadium oxide cluster ions are prepared by laser ablation and the V4O10+ clusters are selected by a quadrupole mass filter and interacted with the simple molecules in a hexapole reaction cell. The reactant and product ions are detected by a reflectron time-of-flight mass spectrometer. Hydrogen and oxygen atom transfer reactions are observed. Density functional theory calculations are carried out for the reaction mechanism of V4O10+ + H-2. The oxygen atom transfer (OAT) channel V4O10+ + H-2 -> V4O9+ + H2O is much more exothermic than the hydrogen atom transfer (HAT) channel V4O10+ + H-2 -> V4O10+ + H whereas the former is less favorable than the later in terms of the reaction kinetics. The computational result is in good agreement with the experiment that the HAT (H-2 splitting) rather than the OAT (water formation) is observed for V4O10+ + H-2. (C) 2013 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000327809900016 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/53723]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhao, Yan-Xia |
| 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.Univ Chinese Acad Sci, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yuan, Zhen,Zhao, Yan-Xia,Li, Xiao-Na,et al. Reactions of V4O10+ cluster ions with simple inorganic and organic molecules[J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,2013,354:105-112. |
| APA | Yuan, Zhen,Zhao, Yan-Xia,Li, Xiao-Na,&He, Sheng-Gui.(2013).Reactions of V4O10+ cluster ions with simple inorganic and organic molecules.INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,354,105-112. |
| MLA | Yuan, Zhen,et al."Reactions of V4O10+ cluster ions with simple inorganic and organic molecules".INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 354(2013):105-112. |
入库方式： OAI收割
来源：化学研究所
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