Single-Molecule Magnet with Thermally Activated Delayed Fluorescence Based on a Metallofullerene Integrated by Dysprosium and Yttrium Ions

It is vital to construct luminescent single-molecule magnets (SMMs) and explore their applications in quantum computing technique and magneto-luminescence devices. In this work, we report a luminescent single-molecule magnet with thermally activated delayed fluorescence (TADF) based on metallofullerene DyY₂N@C₈₀. DyY₂N@C₈₀ was constructed by integrating dysprosium and yttrium ions into a fullerene cage. Magnetic results suggest that DyY₂N@C₈₀ exhibits magnetic hysteresis loops below 8 K originating from the Dy³⁺ ion. Moreover, DyY₂N@C₈₀ exhibits TADF originating from the Y³⁺-coordinated carbon cage, whose luminescence peak positions and peak intensities can be obviously influenced by Dy³⁺. Furthermore, a supramolecular complex of DyY₂N@C₈₀ and [12]Cycloparaphenylene ([12]CPP) was then prepared to construct a single-molecule magnet with multiwavelength luminescence. The effects of host-guest interaction on photoluminescence properties of DyY₂N@C₈₀ were disclosed. Theoretical calculations were also employed to illustrate the structures of DyY₂N@C₈₀ and DyY₂N@C₈₀⊂[12]CPP.