Issue 48, 2025

Systematic exploration of alkali–anion pairs for descriptor identification in OH-mediated methane coupling

Abstract

The oxidative coupling of methane (OCM) was investigated using various alkali metal salts supported on SiO2. The addition of H2O enhances both the methane conversion rate and selectivity across all alkali metal salts, which suggests there is an OH-radical-mediated pathway that is facilitated by the surface formation of alkali peroxide. To explain the observed experimental differences, we explored the interactive energetics of alkali–anion pairs with a particular focus on the stabilization of alkali peroxide intermediates by anion species. Anion polarizability is indicative of the alkali ion's degree of freedom and positively correlated with the catalytic performance due to formation capability of catalytic alkali peroxide species. This insight highlights the critical role of the reaction of surface alkali peroxide with H2O as a key elementary step in OCM.

Graphical abstract: Systematic exploration of alkali–anion pairs for descriptor identification in OH-mediated methane coupling

Supplementary files

Article information

Article type
Communication
Submitted
27 Feb 2025
Accepted
07 Apr 2025
First published
15 Apr 2025
This article is Open Access
Creative Commons BY-NC license

Chem. Commun., 2025,61, 8727-8730

Systematic exploration of alkali–anion pairs for descriptor identification in OH-mediated methane coupling

S. Yoshida, W. J. Movick, K. Obata and K. Takanabe, Chem. Commun., 2025, 61, 8727 DOI: 10.1039/D5CC01090J

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