A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules

A cage complex, H2O@[Co5Fe4], was found to encapsulate two water molecules during its self assembly. The complex exhibited remarkable multi functionality, combining magnetic switching from the thermal electron-transfer-coupled spin transition of the cage host and dipolar reorientational motion of the confined water, as evidenced by permittivity measurements, density functional theory calculations, and solidstate H-2 NMR spectra.