Issue 55, 2024

Catalyzing epoxy oxygen migration on the basal surface of graphene oxide using strong hydrogen-bond donors

Abstract

High-level double-hybrid DFT simulations reveal that strong hydrogen-bond-donor catalysts (e.g., ethylene glycol, guanidine, and thiourea) significantly accelerate the migration of epoxy oxygen on the surface of graphene oxide, enhancing the reaction rate by 6–12 orders of magnitude. These results shed light on previously puzzling experimental observations.

Graphical abstract: Catalyzing epoxy oxygen migration on the basal surface of graphene oxide using strong hydrogen-bond donors

Supplementary files

Article information

Article type
Communication
Submitted
23 Ebr. 2024
Accepted
12 Mezh. 2024
First published
13 Mezh. 2024

Chem. Commun., 2024,60, 7049-7052

Catalyzing epoxy oxygen migration on the basal surface of graphene oxide using strong hydrogen-bond donors

A. Karton, T. Foller and R. Joshi, Chem. Commun., 2024, 60, 7049 DOI: 10.1039/D4CC01911C

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