Search

An efficient nonlinear optical single crystal of 2-phenylethylammonium p-hydroxybenzoate (2PPHB) was grown from aqueous solution by slow evaporation solution growth method. Single crystal X-ray diffraction studies confirmed that 2PPHB crystallizes in orthorhombic crystal system with non-centrosymmetric space group of Pna21. The presence of functional groups in the synthesized compound was identified by FTIR spectral analysis. The grown crystals were thermally stable up to 155°C. UV-vis absorption, photoluminescence and birefringence optical properties of grown crystal were explored. The laser induced surface damage threshold and relative second harmonic generation properties of the grown crystal were studied using Q-switched Nd:YAG laser. The variation of dielectric properties of the grown crystal with frequency was investigated for different temperatures. The mechanical response of the crystal was studied by Vicker's microhardness technique. [ABSTRACT FROM AUTHOR]

Highlights: [•] Optical quality VMST crystal was grown by slow cooling method. [•] Morphology of crystal reveals that (001) plane is a dominant. [•] FWHM of VMST crystal on (001) plane was found to be 36arc s. [•] NLO parameters n 2 =1.597×10−11 m2/W and β =1.182×10−3 cm/W were measured. [•] Nonlinear susceptibility (χ 3) was measured by Z-scan and DFWM methods. [ABSTRACT FROM AUTHOR]

Highlights: [•] Organic 4MPHB crystal was grown by slow evaporation method. [•] 4MPHB belongs to monoclinic crystal system with space group P21/c. [•] Refractive index of 4MPHB crystal is found to be 1.44. [•] Crystal possesses high LDT value of 5.14GW/cm2. [•] SHG efficiency of 4MPHB is 2.79 times that of KDP crystal. [Copyright &y& Elsevier]

• Organic single crystal of piperazinium p-hydroxybenzoate (PPH) was grown by slow evaporation technique. • PPH Crystal belongs to monoclinic crystal system with space group P2 1 /c. • The difference between HOMO-LUMO energy gap value is −0.01042 a.u. • SHG efficiency of PPH is 1.5 times that of KDP crystal. • The grown PPH belongs to the soft kind of materials. An organic single crystal of piperazinium p-hydroxybenzoate monohydrate (PPH) was grown by solution growth technique. It belongs to monoclinic system with space group P2 1 /c. Density functional theory (DFT) computations were used by B3LYP/6–311++G (d,P) basis set to optimize molecular geometry and HOMO-LUMO energies. The infrared spectrum confirms the functional groups present in the grown crystal. The UV–Visible, PL and Thermal studies were also analyzed. Hardness property was measured by Vicker's microhardness tester. The chemical etching studies confirms that PPH crystal possesses a layer growth pattern. Second harmonic generation efficiency of PPH crystal has 1.5 times larger than KDP crystal. [ABSTRACT FROM AUTHOR]

Novel 4-hydroxy-3-methoxy benzaldehyde 5-chloro-2-hydroxybenzoic acid (4H5C) organic co-crystal was grown by simple solution growth technique. 4H5C crystal exhibits the orthorhombic structure with non-centrosymmetric space group of Pna2 1 from single crystal X-ray diffraction study results. The cut-off wavelength and optical excitation wavelength was evaluated by using UV–Visible and PL spectral studies to the 4H5C heterodimer and suitability for the NLO applications are discussed. 4H5C single crystal material thermal stability and decomposition states were examined by using TG-DSC analysis. Vickers microhardness test was carried out on the flat surface of 4H5C crystal to understand the mechanical strength and behavior for weight loadings. Chemical etching patterns of 4H5C crystal surface was carried out and found the layer growth pattern. The second harmonic generation (SHG) efficiency of 4H5C single crystal was evaluated by Kurtz-Perry powder technique and result is compared with KDP crystal SHG efficiency. Polarizability, first order hyperpolarizability, geometric parameters of 45HC were evaluated theoretically by using B3LYP, CAMB3LYP methods of density functional theory by using 6-311++G (d,p) basis set. It is estimated that, the polarizability (3.38 x 10−23 e.s.u) and first order hyperpolarizability (9.370 x 10−30 e.s.u.) to the 4H5C heterodimer in B3LYP method. Image 1 • 4H5C crystal belongs to orthorhombic crystal system with spacegroup Pna2 1. • The high optical transmittance with lower cut-off wavelength at 370 nm. • Thermal analysis indicated that the crystal has melting point at 174.50 °C. • The 4H5C crystal belongs to soft kind of materials. • The high value of SHG efficiency exhibits NLO applications. [ABSTRACT FROM AUTHOR]