Manipulation of Molecular Aggregation States to Realize Polymorphism, AIE, MCL, and TADF in a Single Molecule

Multifunctional emitting materials are scarce and need to be further explored. Now, a newly anthraquinone derivative, 2-(phenothiazine-10-yl)-anthraquinone (PTZ-AQ) was designed and synthesized and found to demonstrate polymorphism, multi-color emission, aggregation-induced emission (AIE), mechanochromic luminescence (MCL), and thermally activated delayed fluorescence (TADF) in its different solid forms. It is shown for the first time that TADF properties of a compound can be systematically tuned via its aggregation state. The optimized PTZ-AQ crystal shows a small singlet–triplet energy splitting of 0.01 eV and exhibits red TADF with a photoluminescence quantum yield as high as 0.848. This study shows that the unique multiple functions can be integrated into one single compound through controlling the aggregation states, which provides a new strategy for the investigation and application of multifunctional organic materials.