Reverse saturable absorption behaviour of pyridin-4-aminium butanedioate single crystal for optical limitting applications

Abstract

Single crystals of pyridin-4-aminium butanedioate (PAB) were synthesized and its physiochemical properties were studied to explore its optical limiting behavior in laser photonics. The centrosymmetric behaviour and the monoclinic crystal system is confirmed by Single Crystal X-ray diffraction method and its lattice parameters are calculated and compared with the CCDC database. The structure is optimized to understand the structural stability and the intermolecular interactions are confirmed with the help of Hirshfeld surface analysis. The major donor and acceptor interactions required for structural stabilization is analysed with the aid of Natural Bond Orbital analysis. The melting point and the thermal decomposition are scrutinized by TG/DTA analysis. The laser reliability was examined by Laser Damaged Threshold studies. The electronic transitions and the optical parameters are evaluated which indicates that the material has low band gap and high transmittance near the visible region. The electron transport and charge transfer interactions were examined by HOMO–LUMO and Molecular Electrostatic Potential analysis. The PAB possess excellent nonlinear absorption coefficient at room temperature and the low optical limiting threshold recommends to develop nonlinear absorption induced optical limiting applications.