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

作者信息

Sader Safaa, Miliordos Evangelos

机构信息

Department of Chemistry and Biochemistry, Auburn University, Auburn, AL, 36849, USA.

出版信息

Phys Chem Chem Phys. 2022 Sep 21;24(36):21583-21587. doi: 10.1039/d2cp02771b.

Abstract

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.

摘要

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