Synthesis,spectral, thermal and optical characterization of benzyltributylammonium trichlorobarium(II) monohydrate crystal

A new nonlinear optical semiorganic crystal, benzyltributylammonium trichlorobarium(II) monohydrate was grown by slow evaporation solution growth method at ambient temperature. The powder X-ray diffraction pattern of the crystal confirms its crystallinity. The absorption spectrum of the material shows a peak at 265 nm and no absorption observed in the entire visible region indicates that the compound can be used as a nonlinear optical material. The optical transmittance spectrum of the grown crystal shows a lower cut-off wavelength at 235 nm with transparency of 88%. Thermal stability of the crystal was studied by thermogravimetry-differential thermogravimetry and differential thermal analyses (TG-DTG and DTA). The differential scanning calorimetry (DSC) analysis shows thermal anomalies in the heating and cooling cycles that indicates the occurrence of a first order phase transition. The various characteristics absorption chemical bands and BaCl₃⁻ vibration were assigned through fourier transform infrared (FTIR) spectral analysis. The second harmonic generation efficiency (SHG) of the grown crystal was analyzed by Kurtz–Perry powder technique using Nd:YAG laser. The dielectric constant and dielectric loss of the compound decrease with increase in frequency.     

Growth and characterization of an efficient semi organic single crystal: Sodium hydrogen oxalate monohydrate

A highly proficient nonlinear optical compound Sodium Hydrogen Oxalate Monohydrate (SHOM) single crystal under semi organic category has been grown-up by the process of slow solvent evaporation. The triclinic structure and cell parameters of SHOM was revealed from X-ray diffraction analysis. The examination of FTIR was done to determine the existence of various functional groups present in the SHOM crystal. The mechanical stability is evaluated from Vicker's microhardness tester and related mechanical parameters were assessed. The multiple shot laser damage threshold was examined to be 2.65 GW/cm². TG/DTA analysis is carried out to appraise the thermal limit of the grown material. The absorbance spectrum was analyzed from UV–vis analysis which verifies high transparency of the grown crystal and various optical constants were also estimated. The third order nonlinearity, two-photon absorption and self-defocussing effect of the grown material was established from the Z-Scan approach. The results favoring the materials suitability over nonlinear optical applications are reported.     

Synthesis-spectroscopic,optical and thermal properties of l-alanine ammonium chloride – A semiorganic crystal

Good quality single crystals of semiorganic nonlinear optical material l-alanine ammonium chloride was grown by slow evaporation technique. The grown crystals were characterized by single crystal X-ray diffraction to determine the unit cell parameters. The FTIR spectra were recorded to identify the various functional groups present in the compound. The optical quality of the grown crystal was analyzed by the UV–vis transmission studies. Thermogravimetric and differential thermal analysis reveal the good thermal stability of the material. The grown crystals have also been subjected to nonlinear optical property studies.     

A new metal-organic nonlinear optical material: L-Asparagine Indium chloride (LAIn) for photonics application

Single crystal of l-Asparagine Indium chloride (LAIn), a new semi-organic crystal was grown by slow evaporation method with deionized water as solvent at ambient condition. The crystal structure of LAIn has been determined by single crystal X-ray diffraction and the result shows that the crystal belongs to the orthorhombic system with P2₁2₁2₁ space group. The crystalline nature of grown crystal was analyzed by powder X-ray diffraction analysis. Optical parameters, such as absorbance, transmittance and optical band gap energy were analyzed using UV–Vis NIR transmittance data at the range of 190–800?nm. The ultraviolet (UV) emission nature of the sample was established from the sharp emission peaks in photoluminescence (PL) spectrum. The photo conductivity test exhibits that the grown crystal has positive photo conductive nature. The induced surface laser damage threshold (LDT) for the grown crystal was measured using Nd:YAG laser. The nonlinear optical efficiency of the LAIn crystal was studied using modified Kurtz-Perry powder technique. The hardness, Meyer index, yield strength and elastic stiffness constant were calculated for the grown crystal using Vickers microhardness tester. The variation of dielectric constant and dielectric loss of the grown crystals as a function of frequency has been investigated at different temperatures. The melting point and thermal stability of the LAIn single crystal have been studied by thermo gravimetric analysis and differential thermal analysis (TG/DTA).     

Synthesis, growth and characterization of l-valine cadmium chloride monohydrate—A novel semiorganic nonlinear optical crystal

Single crystals of l-valine cadmium chloride monohydrate (LVCC), a novel semiorganic nonlinear optical material were synthesized and grown from aqueous solution by slow evaporation method at room temperature. The powder X-ray diffraction pattern and FT IR spectrum analysis confirmed the formation of the new crystal. LVCC has good optical transmission in the entire visible region, which is an essential requirement for a nonlinear crystal. The thermal studies reveal that the material has good thermal stability. The LVCC crystal was characterized by energy dispersive X-ray analysis. The optical second harmonic generation conversion efficiency of LVCC was determined using Kurtz powder technique.     

Crystal growth and characterization of l-phenylalaninium trichloroacetate—A new organic nonlinear optical material

Amino acid based crystals exhibit excellent nonlinear and electro-optical properties. A new nonlinear optical single crystal l-phenylalaninium trichloroacetate (LPTCA) belonging to the amino acid group was grown by the slow evaporation solution growth method. The grown crystals have been subjected to powder X-ray diffraction studies to identify the crystalline nature. Single crystal X-ray diffraction study showed that LPTCA belongs to monoclinic crystal system. Fourier transform infrared study is used to confirm the presence of various functional groups in the grown crystal. Optical transparency of the grown crystals was investigated by UV-vis-NIR spectrum. The lower optical cutoff wavelength for this crystal is observed at 254 nm and energy band gap is 4.89 eV. Thermal properties of the LPTCA crystal were studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA) techniques, which indicate that the material does not decompose before melting. The melting point of grown crystal was observed to be 136 °C in a melting point apparatus. The existence of nonlinear optical (NLO) property of LPTCA was confirmed by second harmonic generation test using Nd:YAG laser fundamental wavelength of 1064 nm.     

Investigation on the growth,optical and thermal studies of a novel organic nonlinear optical crystal: l-Threonine diformate (LTDF)

l-Threonine diformate (LTDF), a novel organic nonlinear optical crystal has been synthesized and grown by slow evaporation technique. The grown crystals were subjected to single crystal and powder X-ray diffraction studies. Functional groups present in the material were identified by FT IR spectral analysis. Absorption spectrum shows that the crystal is found to be transparent in the visible region. Thermal analysis was performed to study the thermal stability of the crystal. The SHG efficiency of the grown crystal was confirmed by Kurtz–Perry powder technique.     

Structural,optical, spectroscopic and thermal investigations on novel semi-organic nonlinear optical material - Potassium boro-oxalate single crystal

In this work, a new semi-organic nonlinear optical material of Potassium boro-oxalate (KBO) is synthesized and subsequently a single crystal of size 7 × 5 × 3 mm³ is grown from the aqueous solution by slow evaporation technique at ambient temperature. Characterizations are performed on the single crystals to study the structural, thermal, linear and nonlinear optical (NLO) properties of the as-grown single crystals. Crystal and molecular structure of KBO are solved by direct method and further refinement is performed by full-matrix least-square method employing SHELXL-2014 software. Single crystal X-ray diffraction (SXRD) studies revealed that the grown crystal associates to triclinic crystal family with non-centrosymmetric space group P1. The Fourier transform infrared (FTIR) spectrum reflected the presence of various functional groups in the title compound. The Ultraviolet-visible-near infrared (UV-VIS-NIR) absorption and transmission spectrum are recorded to capture the suitability of the grown single crystals for various optical and NLO applications. The thermal decomposition and thermal stability of the KBO single crystals up to 187°C are investigated by TGA-DTG (Thermo Gravimetric - Differential Thermo Gravimetric), TGA-DTA (Thermo Gravimetric-Differential Thermal analysis) and DSC (Differential Scanning Calorimetry) curves. Kurtz-Perry powder technique is employed to explore the SHG (Second Harmonic Generation) efficiency of the KBO single crystals. SHG efficiency of KBO is found to be comparable to KDP.     

Growth and characterization of organic nonlinear optical material: 5-Nitroindole (5NI) for optical applications

Single crystals of organic nonlinear optical material 5-Nitroindole (5NI) has been grown by slow cooling solution growth technique using methanol as a solvent. The grown crystal was subjected to single crystal X-ray diffraction technique to determine the lattice parameters. Fourier transform infrared spectrum (FTIR) was recorded to identify the presence of functional groups. The optical properties such as the optical band gap, extinction coefficient (k), refractive index (n) and optical conductivity (σ) were calculated. The optical band gap of 5NI is 2.33 eV. The melting point and thermal stability of the crystal was analyzed from TG/DTA studies. Dielectric studies were carried out at different temperatures and frequencies.     

Studies on vibrational,thermal, optical,dielectric and mechanical properties of a molecular salt: 2-Methylimidazolium hydrogen succinate

Good quality single crystal of 2-methylimidazolium hydrogen succinate (2MISA) was grown by slow evaporation solution growth method. The grown crystal was investigated using various characterization techniques to study its properties. Single crystal of 2MISA was confirmed by single crystal XRD. The high resolution X-ray diffraction curve shows the structural perfection of the grown crystal. Factor group analysis predicts 153 possible modes of vibrations. IR and Raman measurements confirm the functional groups present in the title crystal. From the UV–vis spectrum the optical bandgap and refractive index were evaluated. The PL spectrum of the title compound shows green emission. Dielectric tensorial behavior of the grown single crystal was studied with varying frequencies. The thermal stability of 2MISA was analyzed using TGA/DTA measurements, which infer the thermally stability. Mechanical stability of the grown crystal was studied by Vickers hardness tester.     

Growth,spectroscopic studies,and third order non-linear optical analysis of an organic dicarboxylic acid based single crystal: Urea Oxalic acid

A non-centro symmetric single crystal of Urea Oxalic acid (UOA) has been grown from aqueous solution by the process called slow evaporation technique. Single crystal X-ray diffraction (SXRD) evinces UOA corresponding to the triclinic crystal system with the space group P. The diverse functional groups existing in UOA are vividly discovered with Fourier transform infrared (FTIR) and FT-Raman spectrum analysis. Ultraviolet (Uv)-visible spectral analysis reveals that the crystal has the cut-off wavelength of 263 nm. The thermal stability of the grown crystal has been studied by thermo gravimetric analysis and differential scanning calorimetric technique. The Vicker's micro hardness test was also carried out employing one of the as-grown crystals are assessed. The dielectric behavior of the grown crystal was thoroughly analyzed for different temperatures. Fluorescence emission spectrum (PL) has been recorded and lifetime was also studied. The scanning electron microscope (SEM) technique was also carried out and determined the surface morphology topography of the UOA crystal. The theoretical study has been done by quantum mechanical calculations of DFT using Gaussian software package. The structural, vibrational and electronic properties of the title compound had been presented using the B3LYP method with 6-311++G (d, p) basis set. The linear polarizabilities (α) and the first order hyperpolarizability (β) values of the investigated molecule have been calculated. The HOMO-LUMO energies show that the chemical activity of the molecule and molecular electrostatic potential maps (MEPs) and NLO activity confirm to the superiority of the material. The third order nonlinear optical characteristics of UOA have been investigated using z-scan technique.     

Second harmonic chalcone crystal: Synthesis, growth and characterization

The novel nonlinear optical chalcone derivative (2E)-3-[4-(methylsulfanyl)phenyl]-1-(3-bromophenyl)prop-2-en-1-one (3Br4MSP) crystals have been grown by slow evaporation technique at ambient temperature. The crystal was subjected to different types of characterization method in order to study its possible application in nonlinear optics. The structure determination of the grown crystal was done by single crystal X-ray diffraction study. The morphology of the crystal is studied. The crystal was subjected to thermal analysis to find its thermal stability. The grown crystals were characterized for their optical transmission and mechanical hardness. The second harmonic generation (SHG) efficiency of the crystal is obtained by classical powdered technique. The laser damage threshold for 3Br4MSP crystal was determined using Q-switched Nd:YAG laser.     

Third order nonlinear optical properties of potassium dichromate single crystals by Z-scan technique

Single crystal of potassium dichromate (KDC) has been grown from aqueous solution by slow evaporation technique. The lattice parameters of the grown crystal were determined by X-ray diffraction analysis. The optical absorption studies reveal that the crystal has UV cut-off wavelength around 240 nm. Thermo gravimetric and differential thermal (TGA/DTA) studies revealed that the crystal thermally stable up to 397.1 °C. The mechanical strength of the grown crystal was carried out by Vickers micro hardness test. The crystal perfection was confirmed by etching studies. Third order nonlinear optical studies was performed using by single beam Z-scan technique using continuous Nd:YAG laser. Closed aperture Z-scan studies reveal the negative nonlinearity in the crystals and open aperture Z-scan reveals the saturation absorption. Also various parameters such as nonlinear refractive index n₂, absorption co-efficient β and nonlinear optical susceptibility χ⁽³⁾ were calculated for the grown crystal.     

Synthesis,spectral and thermal characterization of Bis(diethylammonium) tetrachloromercurate(II)-An nonlinear optical material

A new semiorganic compound, bis(diethylammonium) tetrachloromercurate(II) was grown by slow evaporation solution growth technique at ambient temperature from its aqueous solution. The crystal system and the cell parameters have been identified from the powder X-ray diffraction pattern. The UV–visible absorption of the compound shows absorption at 246 nm and there is absorption observed in the entire visible region indicates that the compound can be used as a nonlinear optical material. The UV–visible transmittance spectrum of grown crystal shows a lower cut-off wavelength at 275 nm and it was found that the crystal is suitable for optoelectronic applications. Thermal studies were carried out to find out the thermal stability and confirm the stoichiometric ratio of the compound. The thermal anomalies in DSC study indicate the occurrence of first order transition in the compound at low temperatures. The FTIR spectrum of the compound characterizes various functional groups. The various kinds of protons and carbons were assigned through NMR (¹H and ¹³C) spectroscopic techniques. The SHG efficiency of the compound was studied by Kurtz-Perry power technique and observed that it has SHG efficiency 1.5 times greater than that of potassium dihydrogen phosphate (KDP). The dielectric constant and dielectric loss of the compound decreases with increase in frequency.     

Studies on the growth,structural, optical,SHG and thermal properties of γ-glycine single crystal: An organic nonlinear optical crystal

Single crystals of the organic nonlinear optical material γ-glycine have been grown in the presence of Zinc sulphate by slow evaporation technique at ambient temperature for the first time. Bulk growth of γ-glycine single crystals was grown by Top-seeded solution growth method. The γ-phase of glycine was confirmed by powder X-ray diffraction and the FTIR analysis. Elemental analysis CHN was performed to confirm the non-inclusion of zinc sulphate species into the solution. Inductively coupled plasma optical emission spectrometry study (ICP-OES) was employed to quantify the concentration of Zinc element in the grown γ-glycine single crystals. The optical transmission was ascertained from UV–Vis–NIR spectrum. The optical band gap was estimated for γ-glycine single crystal using UV–Vis–NIR study. Differential scanning calorimetry analysis was employed to explore information about thermal stability, phase transition and melting point of the grown crystal. The second harmonic generation relative efficiency was measured by Kurtz and Perry powder technique.     

Synthesis, growth and characterization of novel semiorganic nonlinear optical potassium boro-succinate (KBS) single crystals

Single crystals of novel semiorganic material, potassium boro-succinate (KBS) have been grown from aqueous solution by slow evaporation technique. The lattice parameters for the grown crystals were determined by the single crystal X-ray diffraction analysis. The presence of functional groups was estimated qualitatively by using fourier transform infrared (FTIR) analysis. The optical absorption spectrum shows that the UV cut-off wavelength for the grown crystal is at 240 nm. The thermal stability of the KBS crystal was studied by using TG/DTA analysis. The dielectric constant and loss were studied as a function of frequency. Nonlinear optical properties (NLO) test was performed by using Kurtz powder technique.     

X-ray topography, photopyroelectric and two-photon absorption studies on solution grown benzimidazole single crystal

Benzimidazole (BMZ) is an organic nonlinear optical material, and it is possible to grow it in the laboratory by a slow evaporation solution growth technique using methanol as the solvent. Its nonlinear optical harmonic generation efficiency is 4.5 times higher than that of standard potassium dihydrogen phosphate (KDP) single crystal. It crystallizes with orthorhombic structure, which is noncentrosymmetric in nature, with lattice parameters a=13.58 Å, b=6.85 Å, c=6.97 Å. The functional groups of the grown specimen are confirmed by heteronuclear chemical shift correlation (HETCOR) analysis and it is found that other elements are not incorporated in the compound. The crystalline perfection is examined by high resolution X-ray diffraction (HRXRD), and its topographic image was recorded for the as-grown single crystal indicates the presence of some grain boundaries in the grown specimen. Thermal parameters such as thermal diffusivity (α), thermal conductivity (k), thermal effusivity (e), and heat capacity (c _p ) have been determined by a photopyroelectric thermal wave method. In addition, piezoelectricity, birefringence, and third-order nonlinear optical properties have been examined. The two-photon absorption coefficient of the title compound is determined by the open-aperture Z-scan technique.     

Growth and characterization of bis(thiourea) zinc carbonate (BTZC) a new nonlinear optical material by solution growth slow evaporation technique

A new semi-organic nonlinear optical bis(thiourea) zinc carbonate (BTZC) material has been synthesized. BTZC single crystals were grown from aqueous solution by slow evaporation method. The grown crystals were characterized by single crystal X-ray diffraction (XRD), powder XRD, FTIR, UV–visible, thermal, and second harmonic generation (SHG) analysis. Single crystal XRD study has been carried out to identify the lattice parameters. FTIR studies confirm the functional groups present in the grown crystal. Optical transmission studies have confirmed that the grown crystal is highly transparent. Thermo gravimetric and differential thermal analyses reveal the good thermal stability of the material. The SHG conversion efficiency of BTZC was determined using Kurtz powder technique and found 1.3 times more than that of KDP.     

Spectral,thermal, optical and dielectric characterization of tris(tetraethylammonium) pentabromozincate(II) monohydrate crystals

Tris(tetraethylammonium) pentabromozincate(II) monohydrate, is a new semiorganic compound synthesized and crystallized by slow evaporation solution growth method at room temperature. The formation of the compound in the stoichiometric ratio was confirmed by elemental analysis. The crystalline nature of the compound was confirmed by powder X-ray diffraction method and the crystal system was found to be triclinic. The absorption spectrum of the compound shows absorption at 247 nm and it has wide transparency in the visible region. The lower cut-off wavelength and the optical transmittance window of the compound were identified by optical transmittance study. The thermogravimetric and differential thermal (TG–DTA) analyses were studied to find out the thermal stability of the synthesized compound. The thermal anomalies observed in the differential scanning calorimetry (DSC) analysis indicate that the compound shows a first order phase transition. The FTIR spectrum was used to characterize the various chemical bonds and water molecule present in the compound. The nonlinear optical property (NLO) of the material was analyzed by modified Kurtz–Perry powder technique and found that it has SHG efficiency three times greater than that of KDP. The dielectric constant and dielectric loss of the compound decrease with increase in frequency.     

Effective growth and characterization of piperazinium orthophthalate single crystal yielding high second harmonic generation efficiency

Good quality organic non-linear optical single crystal of piperazinium orthophthalate (PPA) was grown successfully by solution growth at room temperature by achieving the supersaturation state in slow evaporation method. The powder XRD analysis confirms the crystalline nature and structural parameters of the grown PPA crystal. The FTIR and Raman spectra confirm the existence of acid-base functional groups along with their vibrational mode exhibited, present in the grown PPA crystal. UV–Vis spectrum exhibits better transparency in the visible region with cut-off wavelength of 330 nm and the energy band gap (E_g) is analyzed to be 3.8 eV. Photoluminescence spectra shows good optical property with the excitation of 342 nm and two emission peaks in near edge UV band with blue emission at 364 and the energy transition in deep level defect states in crystals by exhibiting the green emission at 533 nm respectively. The thermal stability and the thermal absorption of the PPA crystal were identified by the TG - DTA analysis and obtained thermal stability was up to 88 °C. Vickers micro hardness test illustrates the mechanical stability of the grown PPA crystal and it belong to soft category (n = 4.6). Etching studies illustrates the growth pattern of the grown crystal using water as etchant. FE-SEM analysis shows the perfect smooth morphology of the grown PPA crystal. Second harmonic generation study illustrates the grown PPA crystal (λ = 532 nm) exhibit good nonlinear optical response.