D−A Based 2,3‐di(pyridin‐2‐yl)pyrido[2,3‐b]pyrazine Amine derivatives as Blue‐Orange Emitting Materials: Tuning of Opto‐electrochemical and Theoretical properties

Abstract A series of six new donor‐acceptor (D−A) type 2,3‐di(pyridin‐2‐yl ) pyrido[2,3‐ b ]pyrazine amine derivatives as blue‐orange light emitting materials were designed, synthesized, characterized and their relevant opto‐electrochemical and theoretical properties have been fully investigated. Absorption spectra of dyes 2 – 7 possess intramolecular charge transfer (ICT) transitions (λ max =394–449 nm) and positive solvatochromism with emission in the blue‐orange region (λ emm =477–582 nm) in solution and solid state. Further, the HOMO (−5.32 to −5.86 eV) and LUMO (−3.34 to −3.40 eV) energy levels were calculated by cyclic voltammetry (CV) and correlated by DFT/TD−DFT calculations. Moreover, computed singlet (S 1 ) and triplet (T 1 ) excitation energy difference (ΔE ST =0.27–0.68 eV) were analyzed using the DFT/TD−DFT methods. Thus, potential applications of the dyes are proposed for organic electronics.