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.