Unsaturated Penta-Coordinated Mo_5c⁵⁺ Sites Enabled Low-Temperature Oxidation of C-H Bonds in Ethers.

ABSTRACT: Selective oxidation of C-H bonds under mild conditions is one of the most important and challenging issues in utilization of energy-related molecules. Molybdenum oxide nanostructures containing Mo⁵⁺ species are effective for these reactions, but the accurate identification of the structure of active Mo⁵⁺ species and the catalytic mechanism remain unclear. Herein, unsaturated penta-coordinated Mo_5c⁵⁺ with a high fraction in MoO_x fabricated by the hydrothermal method were identified as the active sites for low-temperature oxidation of dimethyl ether (DME) by the deep correlation of characterizations, density functional theory calculations, and activity results, giving a methyl formate selectivity of 96.3% and DME conversion of 12.

SUBMITTER: Yang Q 

PROVIDER: S-EPMC10685418 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature