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Computational studies are performed to show that metal oxide anionic complexes promote the CH4 + N2O → CH3OH + N2 reaction with low activation barriers for the C–H activation and the formation of the CH3–OH bond. The energy for the release of the produced methanol is minimal, reducing the residence time of methanol around the catalytic center and preventing its overoxidation.

Graphical abstract: Being negative can be positive: metal oxide anions promise more selective methane to methanol conversion

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