Achieving the Reverse Intersystem Crossing in Chalcone Based Donor-Acceptor System through Down-Conversion of Triplet...

In recent years, understanding the mechanism of thermally activated delayed fluorescence (TADF) has become the primary choice for designing high-efficiency, low-cost, metal-free organic light emitting diodes (OLEDs). Herein, we propose a strategically designed chalcone based donor-acceptor system, where intensification of delayed fluorescence with decrease in temperature (300 K to 100 K) is observed; the theoretical investigations of electronic states and orbital characters uncovered a new cold rISC pathway in donor-acceptor system, where rISC occurs through the down-conversation of higher triplet exciton (from T₃ ) to lowest singlet state (S₁ ), having negative energy splitting, thus no thermal energy is required. The comprehensive research described herein might open-up new avenues in donor-acceptor system over the conventional up-convention of triplet exciton and demonstrates that not necessarily all delayed fluorescence are thermally activated (TADF).