Ligands have an important impact on the chemical conversion of methane, but significant challenges remain in unraveling the underlying mechanisms. Here, we demonstrate that the binding of Ru metal centers to a range of ligands (C, CH, CNH, CHCNH) can modulate the conversion of methane. Based on a gas-phase ion-molecule reaction experimental approach, combined with theoretical simulation analyses, we delve into the nature and laws of the ligand effect. Unlike the inert Ru+, [RuC]+, and [RuCNH]+, [RuCH]+ and [RuCHCNH]+ are able to dehydrogenate CH4, in which CH acts as the active site, and regulate the activation of CH4 with the assistance of the "seemingly inert" CNH ligands. The results were published in Phys. Chem. Chem. Phys.

Link to original article:https://pubs.rsc.org/en/content/articlelanding/2024/cp/d4cp01420k/unauth