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

AbstractA 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 (λmax=394–449 nm) and positive solvatochromism with emission in the blue‐orange region (λemm=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 (S1) and triplet (T1) excitation energy difference (ΔEST=0.27–0.68 eV) were analyzed using the DFT/TD−DFT methods. Thus, potential applications of the dyes are proposed for organic electronics.