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题名: Activation of Methane Promoted by Adsorption of CO on Mo2C2- Cluster Anions
作者: Liu, Qing-Yu1, 5; Ma, Jia-Bi2; Li, Zi-Yu1; Zhao, Chongyang3, 5; Ning, Chuan-Gang4; Chen, Hui3; He, Sheng-Gui1
关键词: density functional computations ; mass spectrometry ; methane activation ; molybdenum carbides ; photoelectron spectroscopy
刊名: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
发表日期: 2016
卷: 55, 期:19, 页:5760-5764
收录类别: SCI
英文摘要: Atomic clusters are being actively studied for activation of methane, the most stable alkane molecule. While many cluster cations are very reactive with methane, the cluster anions are usually not very reactive, particularly for noble metal free anions. This study reports that the reactivity of molybdenum carbide cluster anions with methane can be much enhanced by adsorption of CO. The Mo2C2- is inert with CH4 while the CO addition product Mo2C3O- brings about dehydrogenation of CH4 under thermal collision conditions. The cluster structures and reactions are characterized by mass spectrometry, photoelectron spectroscopy, and quantum chemistry calculations, which demonstrate that the Mo2C3O- isomer with dissociated CO is reactive but the one with non-dissociated CO is unreactive. The enhancement of cluster reactivity promoted by CO adsorption in this study is compared with those of reported systems of a few carbonyl complexes.
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/36071
Appears in Collections:光化学实验室_期刊论文

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作者单位: 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing 100190, Peoples R China
2.Beijing Inst Technol, Sch Chem, Inst Chem Phys, Key Lab Cluster Sci, Beijing 100081, Peoples R China
3.Chinese Acad Sci, Inst Chem, Key Lab Photochem, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
4.Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Dept Phys, Beijing 100084, Peoples R China
5.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
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