Pyridine-Carbonitrile–Carbazole-Based Delayed Fluorescence Materials with Highly Congested Structures and Excellent OLED Performance

Three pyridine-carbonitrile-carbazole-based thermally activated delayed fluorescence (TADF) materials with highly sterically congested structures have been synthesized. The donor-acceptor-type TADF emitters (26-, 246-, and 35tCzPPC) consist of a 2,6-diphenylpyridine-3,5-dicarbonitrile core (PPC) as the acceptor and a di( t-butyl)carbazole-substituted phenyl group attached to C4 of the PC core as the donor. The molecules show a unique structure containing two consecutive large twisted angles along the donor and acceptor groups. The structure leads to a nearly complete space separation of the highest occupied molecular orbital and lowest unoccupied molecular orbital, a small Δ E