Novel Deep Red Thermally Activated Delayed Fluorescence Molecule with Aggregation-Induced Emission Enhancement: Theoretical Design and Experimental Validation

Thermally activated delayed fluorescence (TADF) molecules with deep red luminescence have shown great applications in organic light-emitting diodes (OLEDs). However, the development of high efficient deep red TADF emitters is full of resistance, and new design strategies are highly desired. This work theoretically predicts the luminescence properties and photophysical mechanism of a spiro-acridine based molecule DBPz-2spAc in toluene and aggregation states. Experiments further show that the solid state can effectively suppress nonradiative energy loss and thus improve luminescence efficiency. OLEDs based on DBPz-2spAc show high luminescence efficiency. In addition, studies based on spiro-acridine derivatives indicate that bending the degree of acridine in excited state will directly affect the nonradiative energy loss. This study improves the understanding of the luminous behavior of spiro-acridine derivative based TADF emitters in solution and in aggregation state, which should pave the way for the design of efficient deep red TADF materials.

Automated summary

The theoretical predictions of luminescence properties and photophysical mechanisms of a spiro-acridine based molecule DBPz-2spAc in different states were conducted in this study, showing that the solid state can improve luminescence efficiency. OLEDs based on DBPz-2spAc exhibit high luminescence efficiency.