Required theoretical and experimental physical characteristics of tris[4-(diethylamino)phenyl] amine organic material

Abstract

In here, we investigated the required theoretical and experimental physical characteristics such as potential energy surface scan, optimized structure, vibrational spectra, electronic band structure, molecular electrostatic potential surface, optical and optoelectronic behaviors of the tris[4-(diethylamino)phenyl] amine (TDAPA) for different solvents (DMF and chloroform) and techniques (experimental and theoretical). We obtained the significant, interesting, same and different results for them. We obtained the refractive indices of the TDAPA for various conditions. The TDAPA exhibits a normal dispersion behavior in visible region. TDAPA organic material is suitable for optoelectronic devices and applications such as metal–organic semiconductor diodes due to the appropriate properties. © 2018, Springer Science+Business Media, LLC, part of Springer Nature.