Growth and characterization of propyl-para-hydroxybenzoate single crystals

Abstract

Single crystals of propyl-p-hydroxybenzoate have been grown by slow evaporation solution technique. The structure of the compound was confirmed by FT-IR, FT-Raman spectroscopy and single crystal X-ray diffraction studies. The crystalline perfection of the grown single crystals has been analysed by high resolution X-ray diffraction measurements. Optical properties of the grown single crystals were studied by UV-Vis NIR spectrum. The luminescence behaviour of the single crystal has been analysed by photoluminescence analysis and found maximum luminescence in the lower wavelength region. A simple interferometric technique was used for measuring birefringence of the crystal. The laser damage threshold of the crystal is 1⋅3 GW/cm 2. The mechanical strength of the grown crystal is measured using Vickers microhardness tester. The dielectric properties have been investigated.

Density functional theory calculations and Hirshfeld surface analysis of propyl-para-hydroxybenzoate (PHB) for optoelectronic application

“…The beaker containing the filtered solution was properly closed for controlled evaporation. We also could control the volatilization rate of solvent through drilling a certain number of fine pores on the air-tight cover [16].…”

“…The optimized molecular structural parameters of PHB are listed in Table 1. The XRD values are compared with corresponding optimized parameters and minor variations are found between them [16]. The optimized parameters are slightly larger than the experimental values and this may be due to the fact that the theoretical calculations have been performed on an isolated molecule in the gas phase.…”

“…The enhancement in the percentage of transmission may be attributed to a reduced scattering from structural and crystallographic defects [31]. This property makes the material highly usable for SHG applications [16].…”

“…The crystal structure was reported by Zhou et al [15]. Growth and characterization of propyl-para-hydroxybenzoate single crystals were investigated by Karunagaran et al [16] and Solanki et al [17].…”