The thermal reaction of methane with the metal-free cluster cation [Si2 O4 ].+ 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, [Si2 O4 ].+ can selectively oxidize methane to formaldehyde. The mechanisms of these rather efficient reactions have been elucidated by high-level quantum-chemical calculations.
Keywords: gas-phase reactions; methane activation; quantum-chemical calculations; silicon oxide cluster.
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