Nitrogen‐Embedding Strategy for Short‐Range Charge Transfer Excited States and Efficient Narrowband Deep‐Blue Organic Light Emitting Diodes

Abstract The development of deep‐blue organic light‐emitting diodes (OLEDs) featuring high efficiency and narrowband emission is of great importance for ultrahigh‐definition displays with wide color gamut. Herein, based on the nitrogen‐embedding strategy for modifying the short range charge transfer excited state energies of multi‐resonance (MR) thermally activated delayed fluorescence (TADF) emitters, we introduce one or two nitrogen atoms into the central benzene ring of a versatile boron‐embedded 1,3‐bis(carbazol‐9‐yl)benzene skeleton. This approach resulted in the stabilization of the highest occupied molecular orbital energy levels and the formation of intramolecular hydrogen bonds, and thus systematic hypsochromic shifts and narrowing spectra. In toluene solution, two heterocyclic‐based MR‐TADF molecules, Py‐BN and Pm‐BN, exhibit deep‐blue emissions with high photoluminescence quantum yields of 93 % and 94 %, and narrow full width at half maximum of 14 and 13 nm, respectively. A deep‐blue hyperfluorescent OLED based on Py‐BN exhibited a maximum external quantum efficiency of 27.7 % and desired color purity with Commission Internationale de L'Eclairage (CIE) coordinates of (0.150, 0.052). These results demonstrate the significant potential for the development of deep blue narrowband MR‐TADF emitters.