Being negative can be positive: metal oxide anions promise more selective methane to methanol conversion.
Safaa SaderEvangelos MiliordosPublished in: Physical chemistry chemical physics : PCCP (2022)
Computational studies are performed to show that metal oxide anionic complexes promote the CH 4 + N 2 O → CH 3 OH + N 2 reaction with low activation barriers for the C-H activation and the formation of the CH 3 -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.