Selective C-O Coupling Hidden in the Thermal Reaction of [Al₂ CuO₅ ]⁺ with Methane

The thermal gas-phase reaction of [Al₂ CuO₅ ]⁺ with methane has been explored by using FT-ICR mass spectrometry complemented by high-level quantum chemical calculations. The generation of atomic [Cu]⁺ from the [Al₂ CuO₅ ]⁺ /CH₄ couple corresponds to the only reaction channel. Labeling experiments and computational studies strongly suggest that methane activation is indeed involved in the production of [Cu]⁺ , and generation of CH₂ O prevails. Mechanistic aspects and the associated doping effects are discussed.