Water‐soluble Self‐assembled {Pd ₈₄ } ^Ac Polyoxopalladate Nano‐wheel as a Supramolecular Host

Abstract Polyoxopalladates (POPs) are a class of self‐assembling palladium‐oxide clusters that span a variety of sizes, shapes and compositions. The largest of this family, {Pd 84 } Ac , is constructed from 14 building units of {Pd 6 } and lined on the inner and outer torus by 28 acetate ligands. Due to its high water solubility, large hydrophobic cavity and distinct 1 H NMR fingerprint {Pd 84 } Ac is an ideal molecule for exploring supramolecular behaviour with small organic molecules in aqueous media. Molecular visualisation studies highlighted potential binding sites between {Pd 84 } Ac and these species. Nuclear Magnetic Resonance (NMR) techniques, including 1 H NMR, 1 H Diffusion Ordered Spectroscopy (DOSY) and Nuclear Overhauser Spectroscopy (NOESY), were employed to study the supramolecular chemistry of this system. Here, we provide conclusive evidence that {Pd 84 } Ac forms a 1 : 7 host‐guest complex with benzyl viologen (BV 2+ ) in aqueous solution.