Fig. 1: Design strategy and density-functional theory calculation.

Molecular structures of ω-DABNA, ω-DABNA-M, and ω-DABNA-PH with their corresponding strategy for achieving better CIEx,y with TDA-B2PLYP(cx = 0.40, cc = 0.23)/cc-pVDZ//M06-2X/6-31 G(d) level of theory.