Water-soluble Self-assembled {Pd84}Ac Polyoxopalladate Nano-wheel as a Supramolecular Host

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 H-1 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 H-1 NMR, H-1 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 (BV2+) in aqueous solution.

Automated summary

Polyoxopalladates (POPs) are a class of self-assembling palladium-oxide clusters that have different sizes, shapes, and compositions. The largest compound in this family, {Pd-84}(Ac), is an ideal molecule for exploring supramolecular behavior in aqueous media. Through molecular visualization and nuclear magnetic resonance studies, it has been found that {Pd-84}(Ac) forms a 1:7 host-guest complex with benzyl viologen (BV2+) in aqueous solution.