Theoretical Insight into Herzberg-Teller Spin-Vibronic Coupling Enhanced Reverse Intersystem Crossing in Hybrid MR-TADF Emitters.
Hybrid multiple-resonance thermally activated delayed fluorescence (MR-TADF) emitters can combine narrowband emission with efficient triplet harvesting, but the factors governing these properties remain unclear. Here, we investigate 12 BO-acceptor MR-TADF emitters using quantum-chemical calculations and the thermal vib...