Conformational fluxionality in a palladium(II) complex of flexible click chelator 4-phenyl-1-(2-picolyl)-1,2,3-triazole: A dynamic NMR and DFT study

► Palladium(II) complex with a flexible bidentate ligand was studied experimentally and theoretically. ► The complex undergoes conformational fluxionality at the six-membered metallacycle. ► DFT calculations revealed that the isomerisation occurs via a single-step mechanism.