Optical Properties and Quantum-Chemical Calculations of Various Bithienyl Derivatives of Benzene, Triazine and Triphenyltriazine as Organic Light Emitting Diodes

Abstract

Derivatives of tris (2,2-bithiophen-5-yl) derivatives based on a benzene, a triazine or a triphenyltriazine core are presented for optical light emitting diode functionality. Optical properties as well as their corresponding molecular energy levels were investigated by UV-VIS absorption supported by fluorescence spectra. Furthermore, DFT and TDDFT calculations for obtained materials are presented to supplement the experimental data. It is demonstrated that HOMO -LUMO orbitals are delocalized uniformly on aromatic core and bithienyl substituents. Additionally, an OLED was built using synthesized compounds to facilitate electron transport and act as light emitting layer. Optical and charge transport properties along with good electrochemical stability confirm potential application of bithiophenearomatic hybrids in electrochromic devices, light emitting electrochemical cells and spintronics.