Sader Safaa, Miliordos Evangelos
Department of Chemistry and Biochemistry, Auburn University, Auburn, AL, 36849, USA.
Phys Chem Chem Phys. 2022 Sep 21;24(36):21583-21587. doi: 10.1039/d2cp02771b.
Computational studies are performed to show that metal oxide anionic complexes promote the CH + NO → CHOH + N reaction with low activation barriers for the C-H activation and the formation of the CH-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.
