Growth, structural, Hirshfeld surface, optical, laser damage threshold, dielectric and chemical etching analysis of 4-dimethylaminopyridinium 4-nitrophenolate 4-nitrophenol (DMAPNP) single crystal

Abstract

The organic 4-dimethylaminopyridinium 4-nitrophenolate 4-nitrophenol (DMAPNP) single crystal was grown by slow evaporation solution growth technique at 35 °C. The single crystal X-ray diffraction analysis confirms that the grown crystal belongs to the orthorhombic crystal system with the space group of P212121. Different functional groups were affirmed using FT-IR and FT-Raman analysis. The intermolecular interactions of the DMAPNP molecule were executed using Hirshfeld surface study. The Mulliken atomic charge population analysis was performed using density functional theory (DFT). The bonding interactions between two orbital atoms and groups were executed by the density of state (DOS). The optical transmittance study shows that the grown crystal has 60 to 78% transmittance in the Vis–NIR region. It has an emission peak at 482 nm in the photoluminescence (PL) spectrum. The photoconductivity analysis shows that the DMAPNP has negative photoconductive behavior. The thermal stability of the DMAPNP crystal was investigated by TG–DTA analysis. The etch pit density of the title crystal was investigated using chemical etching study. The mechanical stability of the DMAPNP crystal was tested by Vickers microhardness tester. Laser damage threshold analysis reveals that the DMAPNP is stable up to 10 mJ of laser power. The dielectric properties were assessed and the electronic polarizability of the DMAPNP was evaluated by the different empirical relations. The second harmonic generation (SHG) efficiency of DMAPNP crystal was measured by Kurtz–Perry powder technique.