Thermal Methane Activation by the Metal-Free Cluster Cation [Si₂O₄]^.+

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• 作者：Dr. Xiaoyan Sun ; Dr. Shaodong Zhou ; Dr. Maria Schlangen and Prof. Dr. Helmut Schwarz
• 刊名：Chemistry - A European Journal
• 出版年：2017
• 出版时间：January 31, 2017
• 年：2017
• 卷：23
• 期：7
• 页码：1498-1501
• 全文大小：770K
• ISSN：1521-3765

文摘

The thermal reaction of methane with the metal-free cluster cation [Si₂O₄]^.+ has been examined by using Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometry. In addition to generating a methyl radical via hydrogen-atom abstraction, [Si₂O₄]^.+ can selectively oxidize methane to formaldehyde. The mechanisms of these rather efficient reactions have been elucidated by high-level quantum-chemical calculations.