A systematic evaluation of Random Lasing, Third Harmonic Generation, and quantum chemical calculations in multifunctional perylene derivatives

The quest for multifunctional materials in the field of optoelectronics has become increasingly imperative, as it offers a pathway toward the development of highly versatile and efficient devices. In this study, we present a comprehensive overview of our achievements in the characterization of perylene derivative-based materials. This group of chromophores exhibits remarkable multifunctionality including Third Harmonic Generation (THG), Z-scan results, and excellent Random Lasing (RL) capabilities. Theoretical quantum chemical calculations (QCC) were conducted to investigate dipole moments, frontier molecular orbital HOMO and LUMO energies, optical band gap energies, as well as second hyperpolarizabilities (γ). The study revealed how groups attached to the perylene core influence the chromophore's dipole moment and, consequently, the nonlinear optical (NLO) properties of the investigated compounds. The combined theoretical and experimental analyses provide valuable insights for the design of various optoelectronic devices using thin films of perylene derivatives, enhancing the understanding of their nonlinear and laser action behavior. • Perylene derivatives for multifunctional spectroscopic performance. • THG, Z-scan, and Random Lasing capabilities demonstrated. • Theoretical QCC supporting the observed experimental result. • Comprehensive overview of perylene derivatives for optoelectronics. • Efficient laser action in RGB range.