Characterization, optical and nonlinear optical properties of TAZ organic material

Abstract

Since organic materials have applications in many fields, characterization and optical parameters of 3-(Bipheny1-4-y1)-5-(4-tert-butylpheny1)-4-phenyl-4H-1,2,4-triazole (TAZ) molecule have been investigated in different solvents. First, UV vis spectra and optical parameters such as mass extinction coefficient (alpha(mass)), optical band gap (E-g), refractive index (n), optical and electrical conductance values have been also researched as experimental and theoretical. Also the most stable state, frontier molecular orbitals and Non-linear optical properties have been investigated with DFT methods and HOMO-LUMO energy range of TAZ molecule have been compared experimentally to the optical band gap. According to the results, it was seen that the TAZ material was suitable for opto-electronic applications because of its high refractive index and wide E-g value.