Mechanistic Insights in Acceptorless Dehydrogenation of N-Heterocycles Using Graphenes as Carbocatalysts.

ABSTRACT: Catalytic dehydrogenation is a critical transformation in the chemical and energy sectors, particularly for reversible hydrogen storage systems. One of the most promising systems for hydrogen storage is the development of liquid organic hydrogen carriers (LOHCs), which have the potential capacity of storing and releasing hydrogen gas on demand. Catalytic direct dehydrogenation represents a greener, promising method to generate hydrogen in situ from these hydrogen-dense carriers. The catalytic activity of graphene materials as metal-free carbocatalysts in the acceptorless dehydrogenation of N-heterocycles has been explored. Herein, a detailed mechanistic investigation has been conducted through both experimental (stoichiometric and masking experiments) and DFT calculations on the reaction m

SUBMITTER: Mollar-Cuni A 

PROVIDER: S-EPMC12754750 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature