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In an effort to design deep-blue light emitting materials for use in OLEDs, the optical and electronic properties of a series of tetraarylbenzobis[1,2- d :4,5- d ′]oxazole (BBO) cruciforms were evaluated using density functional theory (DFT) and time-dependent DFT (TD-DFT).

A computational and experimental investigation of deep-blue light-emitting tetraaryl-benzobis[1,2-d:4,5-d′]oxazoles