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Formation Of Acetylene In The Reaction Of Methane With Iron Carbide Cluster Anions FeC3- Under High-Temperature Conditions.

H. Li, Li-Xue Jiang, Y. Zhao, Qing-Yu Liu, T. Zhang, Sheng-Gui He
Published 2018 · Chemistry, Medicine

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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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