Formation of Acetylene in the Reaction of Methane with Iron Carbide Cluster Anions FeC3− under High‐Temperature Conditions |
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| Authors: | Dr Hai‐Fang Li Li‐Xue Jiang Dr Yan‐Xia Zhao Dr Qing‐Yu Liu Ting Zhang Prof Dr Sheng‐Gui He |
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| Institution: | 1. State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing, P.R. China;2. Beijing National Laboratory for Molecular Sciences, CAS Research/ Education Center of Excellence in Molecular Sciences, Beijing, P.R. China;3. Present address: Department of Precision Instrument, Tsinghua University, Beijing, P.R. China;4. University of Chinese Academy of Sciences, Beijing, P.R. China |
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| Abstract: | The underlying mechanism for non‐oxidative methane aromatization remains controversial owing to the lack of experimental evidence for the formation of the first C?C bond. For the first time, the elementary reaction of methane with atomic clusters (FeC3?) under high‐temperature conditions to produce C?C coupling products has been characterized by mass spectrometry. With the elevation of temperature from 300 K to 610 K, the production of acetylene, the important intermediate proposed in a monofunctional mechanism of methane aromatization, was significantly enhanced, which can be well‐rationalized by quantum chemistry calculations. This study narrows the gap between gas‐phase and condensed‐phase studies on methane conversion and suggests that the monofunctional mechanism probably operates in non‐oxidative methane aromatization. |
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| Keywords: | acetylene high-temperature reactions mass spectrometry metal carbide clusters methane transformation |
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