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Thermal Methane Activation by La6O10− Cluster Anions |
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| Authors: | Jing‐Heng Meng Xiao‐Jiao Deng Zi‐Yu Li Prof Dr Sheng‐Gui He Prof Dr Wei‐Jun Zheng |
| Institution: | 1. Beijing National Laboratory for Molecular Science, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun North First Street 2, Beijing, 100190 (P.R. China), Fax: (+86)?10‐62559373;2. University of Chinese Academy of Sciences, Beijing, 100049 (P.R. China);3. Beijing National Laboratory for Molecular Science, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun North First Street 2, Beijing, 100190 (P.R. China) |
| Abstract: | The first example of a metal oxide cluster anion, La6O10? that can activate methane under ambient conditions is reported. This reaction is facilitated by the oxygen‐centered radical (O??) and follows the hydrogen atom transfer mechanism. The La6O10? has a high vertical electron detachment energy (VDE=4.06 eV) and a high symmetry (C4v). |
| Keywords: | C H activation density functional calculations mass spectrometry oxide cluster anions reaction mechanisms |