Single crystal EPR studies of an organic NLO material: methyl-p-hydroxy benzoate

Single crystals of an organic nonlinear optical (NLO) material methyl-p-hydroxy benzoate (MHB) were grown by solvent evaporation technique. EPR spectra were recorded for Er3+: MHB and gamma-irradiated MHB at room temperature at X-band frequencies. The angular variation studies of the spectra were observed and the principal values of g were determined. The grown crystals were characterized by single crystal X-ray diffraction studies.     

Growth, structural, spectral, mechanical, thermal and dielectric characterization of phosphoric acid admixtured L-alanine (PLA) single crystals

Phosphoric acid admixtured L-alanine (PLA) single crystals were grown successfully by solution method with slow evaporation technique at room temperature. Crystals of size 18 mm×12 mm×8 mm have been obtained in 28 days. The grown crystals were colorless and transparent. The solubility of the grown samples has been found out at various temperatures. The lattice parameters of the grown crystals were determined by X-ray diffraction technique. The reflection planes of the sample were confirmed by the powder X-ray diffraction study and diffraction peaks were indexed. Fourier transform infrared (FTIR) studies were used to confirm the presence of various functional groups in the crystals. UV-visible transmittance spectrum was recorded to study the optical transparency of grown crystal. The nonlinear optical (NLO) property of the grown crystal was confirmed by Kurtz-Perry powder technique and a study of its second harmonic generation efficiency in comparison with potassium dihydrogen phosphate (KDP) has been made. The mechanical strength of the crystal was estimated by Vickers hardness test. The grown crystals were subjected to thermo gravimetric and differential thermal analysis (TG/DTA). The dielectric behavior of the sample was also studied.     

Growth and studies of thiourea urea magnesium chloride (TUMC) single crystals

A new semi organic Non-linear optical (NLO) crystal thiourea urea magnesium chloride (TUMC) was grown by slow evaporation technique at room temperature. Good quality single crystals were grown within 20?days. The FTIR spectrum of title compound was recorded and vibrational assignments were made. The recorded UV?Cvis spectrum shows the optical transmission property of the crystal. The Second harmonic generation (SHG) of TUMC crystal was tested by Kurtz?CPerry method using Nd:YAG laser and the result confirms that the grown crystal exhibits NLO property. To analyse the thermal stability of the crystal TG/DTA analysis were made. Detailed structural analysis of the compound is under progress.     

Growth and characterization of a new metal-organic nonlinear optical bis (thiourea) cadmium zinc chloride single crystals

A new semiorganic nonlinear optical bis (thiourea) cadmium zinc chloride (BTCZC) crystal has been synthesized. BTCZC single crystals were grown from aqueous solution by slow evaporation technique. The solubility of BTCZC has been determined for various temperatures. Single crystal X-ray diffraction (XRD) study has been carried out to identify the lattice parameters. Fourier transform infrared (FTIR) studies confirm the various functional groups present in the grown crystal. The transmission and absorption spectra of this crystal show that the lower cut off wavelength lies at 260nm. The thermal analyses confirmed that the crystal is stable upto 201 degrees C. The nonlinear optical (NLO) property of the grown crystal has been confirmed by Kurtz-powder second harmonic generation (SHG) test.     

Studies on crystal growth, vibrational and optical properties of organic nonlinear optical crystal: p-aminoazobenzene

p-Aminoazobenzene (p-AAZB), an organic nonlinear optical (NLO) crystal having good optical quality has been grown by slow evaporation solution technique using ethanol as a solvent. Solubility studies were performed at different temperatures. The structural characterization of the grown crystals was carried out by X-ray diffraction. Group theoretical analysis was carried out to calculate the number of modes of vibration. The lowering of the wave numbers of azo group suggests the existence of strong intermolecular N-H...H hydrogen bonding. This has been analysed based on the vibrational spectral features. Optical absorption studies show the effective transmission in the entire UV-vis region. The second harmonic generation results show the suitability of this material for NLO applications.     

Synthesis growth and characterization of l-valine nickel (II) chloride

A new semi organic nonlinear optical crystal, l-valine nickel chloride has been synthesized and good optical quality single crystals were grown by slow evaporation technique. The growth conditions of the crystals are studied and the grown crystals are confirmed by powder X-ray diffraction studies. The grown crystal was characterized by using powdered XRD, FT-IR, UV?CVis?CNIR, EDAX, and TG?CDTA. The crystalline nature and its various planes of reflections were observed by the powder XRD. The presence of various functional groups was confirmed by FT-IR spectroscopic technique. The UV?CVis?CNIR spectrum indicates that the crystal has very good absorption in the entire visible and near IR region spectrum suggesting the suitability of the material for NLO applications. The decomposition temperatures and mass loss have been estimated from the thermogravimetric analysis.     

Preparation and characterization of a bis thiourea sodium iodide (BTSI)

A semi-organic nonlinear optical single crystal of bis thiourea sodium iodide (BTSI) has been successfully grown from aqueous solution using the slow evaporation solvent technique (SEST) at room temperature. Obtained crystals using the SEST method were characterized by using different characterization techniques. Structural studies of the grown crystals have been carried out by single-crystal XRD to confirm the crystal system and functional groups by FT-IR spectroscopy. Single-crystal XRD reveals orthorhombic structure of semi-organic BTSI single crystals and its unit cell parameters. Metal complex coordination of the single crystal is studied by FT-IR spectroscopy. The optical absorption study revealed excellent optical transparency of BTSI crystal in the entire visible region with a sharp lower cutoff wavelength 298 nm. The energy band gap of BTSI is found to be 4.16 eV. Thermal stability and thermal decomposition of BTSI single crystals were investigated by TGA–DTA and DSC analysis. The surface appearance of BTSI crystals by scanning electron microscopy reveals the formation of layer growth pattern. The structural perfection and growth features of the grown crystal were analyzed by wet chemical etching studies. The above studies reveal the effect of incorporation of sodium iodide into the lattice of thiourea crystals. The as-grown BTSI single crystals can be used as a potential candidate for NLO material as well as in electronic and optoelectronic devices.     

Crystal growth and characterization of γ-glycine grown from potassium fluoride for photonic applications

Single crystals of γ-glycine, an organic nonlinear optical material have been synthesized in the presence of potassium fluoride (KF) by slow evaporation technique at ambient temperature. The size of the grown crystal is up to the dimension of 12 mm×10 mm×8 mm. The γ-phase was confirmed by single crystal X-ray diffraction, powder XRD and the FTIR analysis. Optical absorption spectrum reveals that the grown crystal has good optical transparency in the entire visible region with an energy band gap of 5.09 eV, which is an essential requirement for a nonlinear optical crystal. Thermal stability of the grown γ-glycine crystal was determined using the thermo gravimetric and differential thermal analyses. The NLO activity of γ-glycine was confirmed by the Kurtz powder technique using Nd:YAG laser and the grown crystal exhibits high relative conversion efficiency when compared to potassium dihydrogen phosphate (KDP).     

Semiorganic nonlinear optical l-lysine sulphate growth and characterization

l-Lysine sulphate (LLS), a semiorganic nonlinear optical (NLO) material useful for frequency doubling in the IR region, has been synthesized. The solubility studies have been carried out in the temperature range 30–50 °C. Single crystals have been grown by slow evaporation method from an aqueous acetone solution of l-lysine and sulphuric acid. The grown crystals were bulk, bright and transparent. These crystals were characterized by X-ray and FTIR studies. Powder X-ray pattern indicates that LLS crystallizes in orthorhombic space group P2₁2₁2₁ with four unit cells. FTIR spectral studies were performed for the conformation of the l-lysine molecule and hydrogen bonds. The optical transmission spectra of the grown crystal are tested by UV–vis spectrophotometer and found that the crystal was transparent over entire visible region. The second harmonic generation test of the LLS revealed the nonlinear nature of the crystal.     

Growth,spectral, and thermal characterization of the NLO crystal: semicarbazone of <Emphasis Type="SmallCaps">dl</Emphasis>-camphor (SDLC)

Semicarbazone of dl-camphor (SdlC) crystals were grown using methanol as a solvent by slow evaporation solution growth technique at room temperature. Formation of the product and the presence of various functional groups present in the grown crystal have been identified using FTIR spectra. Single crystal XRD study was conducted to obtain the crystal structure and lattice parameters. The grown crystal was subjected to ¹HNMR and ¹³CNMR spectral studies and TG-DTA in order to confirm its structure, purity, and stability, respectively. The optical transparency of the crystal was tested using UV–Vis–NIR spectroscopy. The nonlinear optical (NLO) property of the grown crystal was confirmed from the second harmonic generation (SHG) by Kurtz–Perry powder test.     

Structural, thermal and optical characterization of an organic NLO material--benzaldehyde thiosemicarbazone monohydrate single crystals

Single crystals of the organic NLO material, benzaldehyde thiosemicarbazone (BTSC) monohydrate, were grown by slow evaporation method. Solubility of BTSC monohydrate was determined in ethanol at different temperatures. The grown crystals were characterized by single crystal X-ray diffraction analysis to determine the cell parameters and by FT-IR technique to study the presence of the functional groups. Thermogravimetric and differential thermal analyses reveal the thermal stability of the crystal. UV-vis-NIR spectrum shows excellent transmission in the region of 200-1100 nm. Theoretical calculations were carried out to determine the linear optical constants such as extinction coefficient and refractive index. Further the optical nonlinearities of BTSC have been investigated by Z-scan technique with He-Ne laser radiation of wavelength 632.8 nm. Mechanical properties of the grown crystal were studied using Vickers microhardness tester. Second harmonic generation efficiency of the powdered BTSC monohydrate was tested using Nd:YAG laser and it is found to be ～5.3 times that of potassium dihydrogen orthophosphate.     

Synthesis, growth and characterization of a new nonlinear optical material: 4-phenylpyridinium hydrogen squarate (4PHS)

A novel organic non-linear optical organic single crystal of 4-phenylpyridinium hydrogen squarate (4PHS) has been synthesized and successfully grown from aqueous solutions by slow evaporation solution growth method. In the present investigation the title compound has been synthesized by taking equimolar quantity of 4-phenylpyridine and squaric acid and mixed thoroughly using double distilled water as the solvent. The prepared concentrated solution was placed in an undisturbed condition, and then the solution was periodically inspected. The good quality single crystals have been harvested in a time span of 3 weeks. Then the grown crystal was characterized as single crystal XRD, differential thermal analysis, thermogravimetric analysis, FTIR, UV-vis-NIR, SHG, (1)H NMR and (13)C NMR analyses, respectively. The observed results from the characterization analyses show its suitability for NLO applications when compared with some of the existing organic crystals. The relative second harmonic generation of this grown crystal was found to be five times higher than that of KDP crystal. The UV cut-off wavelength and decomposition temperature of this grown crystal were also comparatively better. (1)H NMR and (13)C NMR spectroscopic studies were employed to elucidate the structure of the grown specimen.     

EPR of gamma-irradiated single crystals of 2-amino-5-nitro pyridinium L-tartrate: a NLO material

Single crystals of a non-linear optical (NLO) material 2-amino-5-nitropyridinum L-tartrate (ANPLT) were grown by solvent evaporation technique and characterized by the measurement of density, FT-IR, FT-Raman and X-ray diffraction techniques. Microhardness study and SHG test were also carried out. The EPR spectra were recorded for gamma-irradiated single crystal of ANPLT. The angular variation studies of the spectra were carried out and the principal values of g- and A-tensors were determined. The site symmetry of the radical formed is axial.     

Synthesis, growth, structural, spectroscopic and optical studies of a new semiorganic nonlinear optical crystal: L-valine hydrochloride

Single crystals of a new semiorganic nonlinear optical (NLO) material, L-valine hydrochloride (LVHCl), having dimensions up to 20 mm x 6 mm x 4 mm have been grown by slow evaporation solution growth technique. Single crystal X-ray diffraction studies confirm that the grown crystal belongs to the monoclinic system. The functional groups presented in the crystal were confirmed by Fourier transform infrared (FTIR) technique. Optical transmission spectrum shows very low absorption in the entire visible region. Differential thermal and thermogravimetric analyses confirmed that the crystal is stable up to 211 degrees C. The powder second harmonic generation (SHG) efficiency of LVHCl is 1.7 times efficient as potassium dihydrogen phosphate (KDP).     

Effect of pH, thermal, electrical and thermomechanical properties of nonlinear optical L-threonine single crystals

Nonlinear optical L-threonine single crystals have been grown at various pH values. The crystals were subjected to dielectric and thermomechanical measurements at various temperatures. The thermal strength of the grown crystal was also determined by differential scanning calorimetry (DSC) analysis. The results have been discussed in detail.     

Synthesis, growth and characterization of bis (glycine) lithium molybdate—A semi-organic NLO material

Single crystals of bis (glycine) lithium molybdate [BGLM] with dimensions 20 mm × 10 mm × 5 mm were grown by slow evaporation technique. The grown crystals were subjected to powder X-ray diffraction studies. Functional groups of the crystallized molecules were confirmed by FTIR analyses. Transmission range of the crystal was determined by UV–vis–NIR spectra. Vickers microhardness test was performed on the prominent plane (0 1 1) of the grown crystal. The NLO property of the crystal was confirmed by Kurtz SHG test and compared with NLO efficiency of KDP crystal.     

Synthesis,crystal growth,structural, spectral,optical, thermal and dielectric studies of a new nonlinear optical material: 4-Hydroxy-l-proline-l-tartaric acid (1:1)

Single crystals of a new organic material, 4-hydroxy-l-proline-l-tartaric acid (HPTA) adduct, were grown by slow evaporation of an aqueous solution containing equimolar concentrations of 4-hydroxy-l-proline and l-tartaric acid at room temperature. Formation of new crystal has been confirmed by single crystal X-ray diffraction and NMR spectroscopic techniques. The single crystal XRD analysis shows that a molecule of 4-hydroxy-l-proline and a molecule of free l-tartaric acid both of which are interlinked to each other by two types of H-bonding interactions, namely O(6)–H(6)⋯O(2) and N(1)–H(1B)⋯O(10). The title compound (HPTA) crystallizes in monoclinic crystal system with non-centrosymmetric space group P2₁. The suitability of the crystal for optical applications was studied by UV–Vis–NIR spectroscopy. Fourier transform infrared (FT-IR) spectral analysis was used to confirm the presence of various functional groups in the grown crystals. The thermal stability of the compound was investigated by thermogravimetric and differential thermal analyses. The dielectric constant and dielectric loss of the crystal were studied as a function of frequency and temperature. The fluorescence spectral analysis of the title crystal shows an indigo emission. The second order nonlinear optical (NLO) property of the crystal was confirmed by the modified Kurtz–Perry powder second harmonic generation (SHG) test.     

Semiorganic nonlinear optical material for frequency doubling: preparation and properties of sodium p-nitrophenolate dihydrate (SPNP)

Sodium p-nitrophenolate (SPNP), a semiorganic nonlinear optical (NLO) material useful for frequency doubling in the IR region, has been synthesized. The solubility studies have been carried out in the temperature range 30-50 degrees C. Single crystals (size 12 mmx7 mmx4 mm) have been grown by slow evaporation of the saturated aqueous solution (methanol as solvent) at 30 degrees C. The lattice parameters of the grown crystals have been determined by single crystal X-ray diffraction technique. The UV-vis-NIR transmittance spectrum has been recorded in the range 200-1500 nm. The molecular structure was confirmed by FT-IR and FT-NMR. SPNP was thermally stable up to 103 degrees C as determined by TG/DTA curves. By a modified Kurtz and Perry method, the powder SHG efficiency was found to be five times that of KDP and its phase matching property was established. Laser damage threshold of SPNP was determined using a Nd:YAG laser.     

Synthesis, growth, thermal, optical and mechanical properties of 2-Aminopyridinium 4-methylbenzoate Dihydrate

Organic NLO material of 2-Aminopyridinium 4-methylbenzoate Dihydrate (2A4M) was synthesized using 2-Aminopyridinium and 4-methylbenzoic acid as starting materials. Single crystals of 2A4M were grown by the slow evaporation solution growth technique at room temperature using water as a solvent. The grown crystal was characterized by single crystal XRD to confirm the crystal system and lattice parameters. From the optical studies the optical band gap and the refractive index of the material are found to be 2.9 eV and 1.40 at 1200 nm. Functional groups of the crystallised material were confirmed by FTIR vibrational spectrum. Thermal behaviour of the title compound was studied using thermogravimetric (TG) and differential thermal analyses (DTA). The initial weight loss is found up to 125°C, which corresponds to 13.2% i.e. presence of 2 mole of water in the lattice. The grown crystal was subjected to Vickers hardness test and the brittleness index, fracture toughness, yield strength were estimated. The etching studies reveal the growth pattern and dislocations present in the grown crystal. The second harmonic generation (SHG) behaviour of 2A4M was tested by Kurtz-Perry powder technique. The relative SHG efficiency of 2A4M is found to be 3.03 times that of the reference material KDP.     

Growth, spectral, and thermal characterization of 2-hydroxy-3-methoxybenzaldehyde semicarbazone

2-Hydroxy-3-methoxybenzaldehyde semicarbazone (HMBS) has been synthesized from 2-hydroxy-3-methoxybenzaldehyde and semicarbazide hydrochloride using sodium acetate as catalyst. Good quality single crystals of HMBS were successfully grown by slow evaporation method at room temperature using a mixture of DMF and ethanol as solvent. Fourier transform infrared and Fourier transform Raman spectral studies have been performed to identify the functional groups. Single-crystal XRD study was conducted to obtain the crystal structure and lattice parameters. The grown crystal was subjected to ¹H- and ¹³C-NMR spectral studies in order to confirm its structure and purity. The compound crystallizes into a monoclinic P21/c space group. Intermolecular hydrogen-bonding interactions facilitate unit cell packing in the crystal lattice. The UV–Vis spectrum confirmed the transparency of the compound between the wavelengths 420 and 1,100 nm, which is a characteristic property of a nonlinear optical (NLO) material. The thermal decomposition of the compound under static air atmosphere was investigated by simultaneous TG–DTG at a heating rate of 10 °C min^?1. The NLO property of HMBS was confirmed from the second-harmonic generation by Kurtz–Perry powder test.