Influence of transition metal doping on tris(thiourea)zinc(II) sulphate crystals

Optical, thermal and dielectric properties of Ni(II)-doped tris(thiourea)zinc(II) sulphate single crystals grown by slow evaporation solution growth technique has been investigated. The lattice parameters of the as-grown crystals were obtained by single crystal X-ray diffraction analysis. The modes of vibrations of different functional groups present were identified by FT-IR studies. The surface morphological changes are observed in the doped specimen. The structure and the crystallinity of the material were confirmed by powder X-ray diffraction analysis. The UV–vis optical absorption spectrum shows the lower optical cut-off at ∼284 nm and the crystals are transparent in the entire visible region. The relative second harmonic generation efficiency measurements reveal the enhancement of efficiency by doping with small quantities of Ni(II).     

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.     

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.     

Synthesis,growth of single crystals and their characterization: l-Alaninium maleate (LAM)

In recent days amino acid single crystals are gaining importance due to good optical behavior. The title compound consists of l-alanine; an amino acid and maleic acid; an aromatic organic compound. It has been successfully synthesized and the single crystal has been grown by slow evaporation solution growth. The grown single crystal has been characterized by powder X-ray diffraction (PXRD) analysis and FTIR measurements. The crystalline perfection was examined by high-resolution X-ray diffraction (HRXRD) technique and found that the specimen quality is quite good. Optical behavior has been assessed by UV–Vis analysis and found that there is no absorption in the entire visible region. The relative second harmonic generation (SHG) efficiency measurement reveals that the incorporation of maleic acid to l-alanine leads to increase its value of SHG. The mechanical behavior and the thermal analysis have been carried out using Vickers microhardness and TG/DTA measurements respectively. Its hyperpolarizability was estimated by density functional theory (DFT).     

Enhancement of second harmonic generation efficiency: Growth and characterization of magnesium(II)-doped tetrakis(thiourea)nickel(II) chloride crystals

The influence of magnesium doping on the properties of tetrakis(thiourea)nickel(II) chloride crystals has been described. The reduction in the intensity observed in powder X-ray diffraction of doped specimen and slight shifts in vibrational frequencies confirm the lattice stress as a result of doping. Surface morphological changes due to doping of the alkaline earth metal are observed by scanning electron microscopy. The incorporation of Mg(II) into the crystal lattice was confirmed by energy dispersive X-ray spectroscopy. Lattice parameters are determined by single crystal XRD analysis. The thermogravimetric and differential thermal analysis studies reveal the purity of the materials and no decomposition is observed up to the melting point. The crystal is further characterized by Kurtz powder technique and dielectric studies.     

Enhancement of second harmonic generation efficiency: Cs(I)-doped tris(thiourea)zinc(II) sulphate crystals

The effect of dopant cesium (Cs(I)) over a concentration range from 1 to 10 mol% on the growth process, morphology, thermal and optical properties of tri(thiourea)zinc(II) sulfate (ZTS) single crystals grown by slow evaporation solution growth technique has been investigated. Incorporation of Cs(I) into the crystal lattice was well confirmed by energy dispersive X-ray spectroscopy (EDS). The lattice parameters of the as-grown crystals were obtained by single crystal X-ray diffraction analysis. The reduction in the intensities observed in powder X-ray diffraction patterns of doped specimen and slight shifts in vibrational frequencies in fourier transform infrared spectra (FT-IR) indicate the lattice stress as a result of doping. Thermal studies reveal the purity of the material and no decomposition is observed up to the melting point. High transmittance is observed in the visible region and the cut-off λ is ～280 nm. The surface morphology of the as-grown specimens was studied by scanning electron microscopy (SEM). The second harmonic generation (SHG) efficiency of the host crystal is enhanced greatly in the presence of high concentrations of the dopant.     

Synthesis,growth and optical properties of semi organic non linear optical single crystal: l-Arginine acetate

In the recent past, nonlinear optical materials are getting attention in the field fibre optic communication and optical signal processing. In the present study, the title compound was successfully synthesized by conventional chemical reaction and then the single crystal was grown by slow evaporation solution growth technique. l-Arginine acetate (LAA) is semi organic non linear optical single crystal and crystallizes in noncentrosymmetric space group. The grown good quality single crystals have been analyzed by different characterization analyses such as powder X-ray diffraction, high resolution X-ray diffraction (HRXRD), Raman spectroscopy, photoluminescence, SEM, micro-hardness, thermal and birefringence analyses.     

Growth,thermal, spectral optical and dielectric characterization of semiorganic material: Dihydroxylammonium tetrachlorostrontium(II) dihydrate

Single crystals of dihydroxylammonium tetrachlorostrontium(II) dihydrate were grown by slow evaporation solution growth method at ambient temperature. The suitability of this material for optical application was studied by UV–visible absorption and optical transmittance spectroscopic techniques. The powder X-ray diffraction (XRD) method was used to confirm the crystalline nature of the compound and it is observed that the compound crystallized in orthorhombic system. The thermal stability of the title compound was studied by thermogravimetry and differential thermal (TG–DTA) analyses. The thermal anomalies observed in the low temperature differential scanning calorimetry (DSC) study indicate the occurrence of the first order structural phase transitions in the compound. The FTIR spectrum characterizes the various chemical bonding and water molecules in the compound. The nonlinear optical property of the material was analyzed by modified Kurtz–Perry powder technique. The dielectric constant and dielectric loss of the compound decreases with increase in frequency.     

Crystal growth, FTIR and thermal characterization of bis(ethyltriphenylphosphonium) tetrabromomanganate(II) dihydrate crystals

Single crystals of a novel compound, bis(ethyltriphenylphosphonium) tetrabromomanganate(II) dihydrate (BTP-Mn) were grown by solution growth-slow evaporation technique from aqueous solution of the compound at ambient temperature. The grown crystals were characterized by elemental analysis, powder X-ray diffraction, thermal analysis, nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infra-red spectroscopy (FTIR) techniques. The chemical composition of the compound was revealed by elemental analysis and its crystallinity was confirmed by powder X-ray diffraction. Thermal analysis confirmed that the compound was stable up to 125°C. The various kinds of protons and carbons present in the compound were confirmed by ¹H NMR and ¹³C NMR technique respectively and the presence of phosphorous was confirmed by ³¹P NMR spectrum in the compound. The modes of vibration of different molecular groups present in the compound were identified by FTIR spectral analysis. The second harmonic generation behaviour was tested by Nd:YAG laser source.     

Synthesis and characterization of a new nano lead(II) 0-D coordination supramolecular compound: A precursor to produce pure phase nano-sized lead(II) oxide

Nano-structure of a new 0D Pb(II) coordination supramolecular compound, [Pb₄(8-Quin)₆](ClO₄)₂(1), L = 8-HQuin = 8-hydroxyquinolin ligand has been synthesized by use of a sonochemical process and characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRPD), Fourier transform infrared spectroscopy (FTIR) and elemental analyses. The structure of compound 1 was determined by single-crystal X-ray diffraction. The single crystal X-ray data of compound 1 implies that the Pb⁺² ions are five coordinated. Each lead atom is coordinated to nitrogen and oxygen atoms of 8-hydroxyquinolin ligand. Topological analysis shows that the compound 1 is 1,2,3,4,4M12-1net. Nanoparticles of lead(II) oxide have been prepared by calcination of lead(II) coordination polymer at 500 °C that were characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRPD) and IR spectroscopy.     

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.     

Studies on the growth,structural, optical and laser damage threshold properties of 4-aminopyridinium p-aminobenzenesulfonate p-ammoniobenzenesulfonate monohydrate crystal

An organic nonlinear optical crystal 4-aminopyridinium 4-aminobenzenesulfonate 4-ammoniobenzenesulfonate monohydrate (4APABS) was grown by slow evaporation solution growth technique. The cell parameters of grown crystal were confirmed by single crystal X-ray diffraction analysis. High resolution X-ray diffraction studies revealed the crystalline perfection of grown crystal. The functional groups present in title compound were confirmed by FTIR spectral studies. UV–vis spectral studies revealed that the grown crystal is transparent in the entire visible region. Single and multiple shots laser induced surface damage threshold values of the grown crystal were measured using Nd:YAG laser. The relative second harmonic generation efficiency of grown crystal was found to be 2.2 times that of KDP crystal.     

Crystal growth,structural and photoluminescence studies of L-tyrosine hydrobromide semi organic single crystal

Nearly perfect single crystal of L-tyrosine hydrobromide (LTHB) has been grown at room temperature from the saturated solution prepared from the solvent with optimised normality (2N) using slow evaporation solution growth technique. Crystal system and lattice parameters have been estimated by single crystal X-ray diffraction analysis. Prominent peeks of powder X-ray diffraction pattern have been indexed and diffraction data have been presented. The presence of various functional groups in LTHB has been identified by vibrational and Nuclear Magnetic Resonance spectral study. The crystalline nature and defect during the growth has been studied by obtaining high resolution X-ray diffraction curve (rocking curve) for the title crystal and detailed explanation is given in this paper. Cyclic voltammetric behaviour and photoluminescence properties of LTHB have also been investigated.     

Structural,optical and mechanical property analysis of magnesium sulphate admixtured l-Threonine: A novel optoelectronic material

l-Threonine is an important amino acid and famous due to their property of frequency conversion and electro optic modulation. Single crystals of magnesium sulphate admixtured l-Threonine was grown by slow evaporation technique. Good quality single crystal with dimension 58 × 5 × 10 mm³ was harvested after 60 days. The powder X-ray diffraction pattern of the grown crystal has been indexed. The optical transmission spectrum shows that the magnesium sulphate admixtured l-Threonine possess good optical transparency in the entire visible region with Ultra Violet cut-off wavelength at 250 nm. The presence of fundamental functional groups was identified by Fourier Transform Infra Red spectral analysis. The structure of the grown crystal was established using Fourier Transform-Nuclear Magnetic Resonance spectral analysis. The thermal behaviour of the crystal has been discussed by Thermal Gravimetric Analysis and Differential Thermal Analysis. Magnesium sulphate admixtured l-Threonine was characterized by Energy dispersive analysis of X-ray. The second harmonic generation efficiency of magnesium sulphate admixtured l-Threonine crystal is found to be same as that of potassium dihydrogen phosphate crystal.     

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.     

Crystal growth and characterization of L-valine cadmium acetate a semiorganic NLO crystals

A new semiorganic nonlinear optical material, L-valine cadmium acetate, was grown successfully from aqueous solution by slow evaporation method. The grown crystals characterized by using Powder X-ray diffraction analysis confirms the structure of the grown title compound. The functional groups have been identified using FTIR spectral data. Transmittance compound was analyzed by using UV-vis spectrum. The thermal behavior of the grown crystal was determined with the aid of thermogravimetric analysis (TGA), differential thermal analysis (DTA) and differential scanning calorimetry (DSC). The dielectric constant was studied as a function of frequency for various temperatures. The grown crystal has positive photoconductivity nature. The fluorescence spectrum of the crystal was recorded and its optical band gap is about 3.4479 eV. Second order nonlinear optical property of the grown crystal has been confirmed by modified Kurtz–Perry powder second harmonic generation (SHG) test.     

A new NLO Material: L-Asparagine thiocyanate (LATC) for opto-electronic applications

L-asparagine monohydrade thiocyanate (LATC), which is potentially a non-linear optical crystal, was grown by the conventional slow evaporation solution technique (SEST) using doubly de-ionized water at room temperature. The lattice parameters were found by using single crystal X-ray diffraction analysis. Perfection of the grown crystal was confirmed by powder X-ray diffraction. The various functional groups were identified from FT-IR analysis. The optical parameters, such as the optical absorption, the band gap, photoluminescence and second harmonic generation (SHG), were analyzed on the grown crystal. The induced surface laser damage threshold was measured using a Q-switched Nd:YAG laser. The thermal behavior and stability of the grown crystal was analyzed by TG/DTA analysis. The dielectric constant (ε_r) and dielectric loss (tanδ) as a function of frequency has been investigated at different temperatures. The mechanical property of the grown crystal was studied using the Vickers micro hardness method.     

Sonochemical synthesis and characterization of new one-dimensional manganese(II) coordination polymer nanostructures

A new Mn(II) coordination polymer, [Mn (L₁)₂(NCS)₂]_n (1) [L₁ = 3,4-bis(4-pyridyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by the reaction of ligand L₁ and mixtures of manganese(II) acetate and potassium thiocyanate using the heat gradient method. Compound 1 has been characterized by IR spectroscopy, elemental analyses and X-ray crystallography. The crystal structure of compound 1 was determined by single-crystal X-ray diffraction and shows a new interesting one-dimensional coordination polymer. Nanostructures of compound 1 have been synthesized by sonochemical method. The products were characterized by X-ray powder diffraction, scanning electron microscopy (SEM), and IR spectroscopy. The thermal stability of nano particles of compound 1 was studied by thermal gravimetric and differential thermal analyses.     

Synthesis,growth and characterization of l-threonine zinc acetate (LTZA) NLO single crystal

Single crystals of l-threonine zinc acetate (LTZA) were grown from an aqueous solution by slow evaporation technique. Single crystal X-ray diffraction analysis reveals that the crystal belongs to monoclinic system. The optical transmission study reveals the transparency of the crystal in the entire visible region and the cut off wavelength has been found to be 350 nm. The optical band gap is found to be 3.55 eV. The microhardness studies reveal the mechanical strength of the grown crystal. The dielectric constant and dielectric loss were carried out for the grown crystal. Photoconductivity measurements carried out on the grown crystal reveal the negative photoconducting nature.     

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.