Generation of free hydrogen atoms in thermal reaction of ethane with AuNbO3+ cluster cations
文献类型：期刊论文
| 作者 | Li, Ya-Ke1,2; Meng, Jing-Heng1,2; He, Sheng-Gui1 |
| 刊名 | INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
 |
| 出版日期 | 2015-05-01 |
| 卷号 | 381页码:10-16 |
| 关键词 | Mass spectrometry Density functional computations Atomic clusters Gold Hydrogen C-H bond activation |
| 英文摘要 | Single gold-atom doped niobium oxide cluster AuNbO3+ has been prepared and mass-selected to react with C2H6 in an ion trap reactor under thermal collision conditions. The reaction has been characterized by mass spectrometry with isotopic substitution (C2H6 -> CH3CD3 and C2D6) and density functional theory calculations. In addition to hydrogen atom abstraction channels identified in a previous fast-flow reactor experiment, a rather unexpected channel of generating the free H atom was observed. The computational study revealed that the gold atom plays an important role in the reaction and the conversion of one Au-O bond to one Au-Nb bond drives the generation of the free H atom. This study enriches the chemistry of gold atoms doped in atomic clusters and provides an ideal model reaction to generate the free H atom that can be a very important intermediate in hydrocarbon transformation. (C) 2015 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2015-11-02 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/27915]  |
| 专题 | 化学研究所_分子动态与稳态结构实验室 |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Ya-Ke,Meng, Jing-Heng,He, Sheng-Gui. Generation of free hydrogen atoms in thermal reaction of ethane with AuNbO3+ cluster cations[J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,2015,381:10-16. |
| APA | Li, Ya-Ke,Meng, Jing-Heng,&He, Sheng-Gui.(2015).Generation of free hydrogen atoms in thermal reaction of ethane with AuNbO3+ cluster cations.INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,381,10-16. |
| MLA | Li, Ya-Ke,et al."Generation of free hydrogen atoms in thermal reaction of ethane with AuNbO3+ cluster cations".INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 381(2015):10-16. |
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来源：化学研究所
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