Helical π-Conjugated Structure Based on Complementary Helical Monomers with Circularly Polarized Luminescence

A fully π-conjugated helical system combining rigid [6]helicenes and a flexible o-OPE unit has been developed, yielding enantiopure emitters with up to three helical loops. The compounds display remarkable chiroptical properties in absorption (gabs up to 2.3 × 10-2) and emission (glum up to 1.3 × 10-2), especially in MeOH. A combined DFT and MD approach reveals the conformational dynamics behind the optical behavior, offering a robust methodology for understanding flexible CPL-active systems.