Abstract
AbstractNarrow‐band emission is essential for applicable circularly polarized luminescence (CPL) active materials in ultrahigh‐definition CP‐OLEDs. One of the most promising classes of CPL active molecules, helicenes, however, typically exhibit broad emission with a large Stokes shift. We present, herein, a design strategy capitalizing on intramolecular donor‐acceptor interactions between nitrogen and boron atoms to address this issue. 1,4‐B,N‐embedded configurationally stable single‐ and double helicenes were synthesized straightforwardly. Both helicenes show unprecedentedly narrow fluorescence and CPL bands (full width at half maximum between 17–28 nm, 0.07–0.13 eV) along with high fluorescence quantum yields (72–85 %). Quantum chemical calculations revealed that the relative localization of the natural transition orbitals, mainly on the rigid core of the molecule, and small values of root‐mean‐square displacements between S0 and S1 state geometries, contribute to the narrower emission.
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