Dihydrate Single Crystals Research Articles

An investigation on optical, dielectric and thermal analysis of semiorganic bisglycine cobalt chloride dihydrate single crystal for electronic and opto-electronic devices

An investigation on optical, dielectric and thermal analysis of semiorganic bisglycine cobalt chloride dihydrate single crystal for electronic and opto-electronic devices

Growth and characterization of novel Curcuma longa natural dye-doped sodium p-nitrophenolate dihydrate single crystals for nonlinear optical applications

Growth and characterization of novel Curcuma longa natural dye-doped sodium p-nitrophenolate dihydrate single crystals for nonlinear optical applications

Optical, dielectric, Hirshfeld surface analysis, mechanical, and photoacoustic spectroscopy of glycine nickel dichloride dihydrate single crystal for optoelectronic devices

Optical, dielectric, Hirshfeld surface analysis, mechanical, and photoacoustic spectroscopy of glycine nickel dichloride dihydrate single crystal for optoelectronic devices

Ethanol-assisted synthesis and characterization of semiorganic lithium para-nitrophenolate dihydrate single crystals

Ethanol-assisted synthesis and characterization of semiorganic lithium para-nitrophenolate dihydrate single crystals

Growth and physiochemical properties of semi organic ammonium pentaborate dihydrate single crystal

Abstract The slow evaporation technique was used to produce nonlinear optical ammonium pentaborate dihydrate (APBDH) single crystals. The crystal lattice parameters and structure of APBDH crystal was determined by single crystal X-ray diffraction (S-XRD) technique with the triclinic space group. The optical band gap of the grown crystal was determined using UV–Vis spectrophotometer. There is no absorption peak was observed in the entire visible region of the spectrum. The functional groups of the APBDH crystal were identified through Fourier transforms infrared (FTIR) and Fourier transform Raman (FR-Raman) analyses. The thermal decomposition and thermal stability of the grown crystal was measured using TG-DTA analyses. The laser damage threshold (LDT) analysis was used to know the ability to withstand the influence of laser on the grown crystal. Photoconductivity of the grown crystal was studied and its photocurrent and dark current behavior was examined. The surface morphology of the APBDH crystal was evaluated using HR-SEM analysis. The APBDH crystal was exhibited second harmonic generation behavior and its efficiency was calculated with different particle sizes.

Study on growth, mechanical, optical, and topological properties of sodium p-nitrophenolate p-nitrophenol dihydrate single crystal

Study on growth, mechanical, optical, and topological properties of sodium p-nitrophenolate p-nitrophenol dihydrate single crystal

Growth, Structural, Spectroscopic and Thermal Analyses of Novel Organic Brucinum-3, 5 –Dihydroxybenzoate Dihydrate Single Crystals for NLO Applications

Along the line of available efficient nonlinear optical (NLO) organic single crystals in the literature, it is worthwhile to bring in a novel organic single crystal of Brucinium-3,5-dihydroxybenzoate dihydrate (B35D) which was successfully grown utilizing the technique of slow evaporation of solution at ambient conditions. As the solubility of B35D was found to be the highest in water-ethanol 1:1 mixed solvent among the conventional solvents, crystallization of B35D was accomplished by making use of the solvent. The required confirmation of the crystal structure of the crystal and its lattice parameter could be achieved by the single-crystal X-ray diffraction analysis such that B35D was found to be crystallized in the monoclinic system with the non-centrosymmetric space group C2. The recording of UV-Vis-NIR transmittance spectrum of the crystal was undertaken between the range of 300 and 900 nm whereby the lower optical cutoff wavelength was identified to be 321 nm. The spectral study of photoluminescence was carried out in the range of 300-600 nm by which the band gap energy was calculated to be about 3.8 eV (at 373 nm) indicating that B35D has a violet fluorescence spectrum. The thermal stability and melting point of the title crystal have been investigated through Thermo gravimetric and differential thermal analysis (TG-DTA) such that the thermal stability of the crystal was found to be 95.6 °C. The Nd: YAG Q-switched laser was employed so as to obtain the laser-induced surface damage threshold of the specimen which was estimated to be 3.1 GW/cm2. The Vickers microhardness test was implemented in order to arrive at the mechanical strength of the crystal. The performed non-linear optical study could reveal that the second-order harmonic generation (SHG) efficiency of B35D crystal is 2.16 times higher than KDP. So that B35D crystals are among the class of NLO materials.

Synthesis, growth, structural, and optical properties of benzotriazolium oxalate dihydrate (BTO) single crystal

Synthesis, growth, structural, and optical properties of benzotriazolium oxalate dihydrate (BTO) single crystal

Potassium trihydrogen dioxalate dihydrate (KTO) nonlinear optical (NLO) single crystal for optical limiting application

In nonlinear optics, optical power limiting (OPL) compounds are known to be an important class of materials because it has the ability to protect the optical sensor components as well as human eyes from the abrupt intense laser power. Here, we have grown such optical limiting material so called potassium trihydrogen dioxalate dihydrate (KTO) single crystal from the aqueous solution by slow cooling method and other aspects such as recrystallization, solubility, nucleation rate, metastable zonewidth and induction period were analysed. Single crystal X-ray diffraction analysis results in triclinic crystal system with centrosymmetric space group P 1¯ of KTO single crystal. The electronic band structure shows that KTO single crystal exhibits an insulating nature with band-gap energy of 3.436 eV (DFT).The strong observation of second harmonic generation (SHG) signal of 79 mV output from the centrosymmetric system is quite surprising and the efficiency of it is also almost equivalent to that of the standard KDP material. And this signal may be attributed due to the dehydration of the crystal under laser irradiation (centrosymmetric to non-centrosymmetric) and the third order nonlinear χ(3) is found to be 1.82 × 10−6 esu. Apart from that, the material shows optical limiting behaviour at which it deviates from the linear response at 3.25 mW of input fluence (nonlinear origin) which further confirms that all nonlinear material will always be coupled with both linear and nonlinear property. In addition, optical, mechanical and dielectric properties of KTO single crystal are discussed in detail.

Computational and experimental investigation on piperazinediium bis (4-aminobenzoate) dihydrate single crystal for NLO applications

Piperazinediium bis (4-aminobenzoate) dihydrate (P4AB) single crystal was grown successfully through slow evaporation. Several characterizations of the P4AB crystal were performed to understand its optical, dielectric, thermal, NLO, and structural properties. The structural information of the P4AB crystal was evaluated using single crystal x-ray diffraction (SXRD); P4AB material is an orthorhombic system with a centrosymmetric space group P21/c. The UV–vis–NIR study showed that the P4AB crystal had a large transmission window and exhibited a near-UV cut-off wavelength of 327 nm. The functional groups and their respective band assignments were revealed using Fourier transform infrared (FTIR) analysis. Thermal stability was ascertained through thermogravimetric and differential thermal analysis (TG-DTA). The ions of the incorporated acid compound significantly improved the dielectric, mechanical, and optical properties; they also improved the activation energy and conductivity of the P4AB crystal. In addition, they improved the energy band gap, optical transmittance, and second and third-order nonlinear optical efficiency. The open aperture z-scan technique was employed to investigate the sample's NLO absorption at 532 nm. Quantum chemical calculations were performed with B3LYP/6–311++G (d,p) level of basis set. The optimized geometry, HOMO-LUMO values, and first-order hyperpolarizability were assessed.

Investigation on the crystal growth, optical, mechanical, and third harmonic generation properties of 2-aminopyridinium adipate monoadipic acid dihydrate single crystal

Investigation on the crystal growth, optical, mechanical, and third harmonic generation properties of 2-aminopyridinium adipate monoadipic acid dihydrate single crystal

Systematic investigation and comparison of oxalic acid dihydrate, ammonium oxalate hydrate and ammonium hydrogen oxalate oxalic acid dihydrate single crystals

Semiorganic crystals are hybrid materials that have captured the interest of researchers due to their improved material characteristics and applications. In the current work, single crystals of oxalic acid dihydrate (OAD), Ammonium oxalate hydrate (AHO), and Ammonium hydrogen oxalate oxalic acid dihydrate (AHOOD) were grown using a slow evaporation method. Single crystal and powder XRD measurements were carried out to elucidate their unit cell parameters, crystal system, and structural information. To comprehend the interplay of light and matter, optical investigations like UV–Vis Spectroscopy and photoluminescence studies were performed. Interaction of ammonium with oxalic acid, and thus formed crystals, was investigated using impedance spectroscopy. Detailed dielectric parameters such as dielectric constant, dielectric loss, impedance, conductivity, and electric modulus were explored as a function of frequency. Vickers hardness test was used to calculate the hardness, Meyer's number, brittleness, and fracture toughness. The crystals were determined to be of the hard materials group.

Experimental and theoretical investigations of Ethyltriphenylphosphonium bromide dihydrate crystal for optical applications

The organic Ethyltriphenylphosphonium bromide dihydrate (ETPBD) single crystal is grown by slow evaporation method at room temperature. The unit cell parameters and crystal system were obtained by the single crystal X-ray diffraction technique. The optical parameters and absorption wavelength assessment are made by UV–Visible spectroscopic technique. The second harmonic generated efficiency is evaluated by using the Kurtz-Perry technique. The polarizability value, charge distribution, HOMO-LUMO energy, natural bond orbital and thermodynamical properties of the ETPBD crystal are estimated from the quantum chemical calculation with the help of DFT. The intermolecular interaction of ETPBD crystal is also analyzed by Hirshfeld surface analysis. The various functional groups were analyzed by spectroscopic studies of FTIR and FTRAMAN by experimentally identified functional groups that were compared with theoretically computed values.

Defect-induced measurements of semi-organic ammonium hydrogen oxalate oxalic acid dihydrate single crystals using gamma irradiation

The structural, optical, mechanical and electrical properties of pure and 5—20-kGy gamma-irradiated semi-organic single crystals of ammonium hydrogen oxalate oxalic acid dihydrate (NH4H3(C4O8).2H2O) are presented. The crystals were synthesized at room temperature using facile solvent evaporation technique. Powder XRD measurements indicate gradual enhancement in crystallinity and lattice defect annihilation for low radiation dosage. Radiation-induced increase in optical band gap (4.01–4.16 eV) indicates high damage threshold of the crystals. Quenching of photoluminescence is attributed to the lowering of surface defect density with radiation. The influence of gamma radiation on the functional vibrations of the crystals is studied using FTIR-Raman spectroscopy. Vickers microhardness measurements show gradual enhancement in crystal hardness with the increase in radiation. An increase in forward resistance with irradiation is observed from I–V measurements and is attributed to high transparency of the crystals. These results indicate the viability of NH4H3(C4O8) 2H2O crystals in potential space optoelectronic applications.

Structural, optical, mechanical, dielectric and nonlinear optical studies of rubidium hydrogen oxalate dihydrate (RbC4H7O10) single crystal

A transparent Rubidium hydrogen oxalate dihydrate (RbHOH) single crystal was synthesized by adopting the slow solvent evaporation method. RbHOH crystallizes in the triclinic structure with the P1‾ space group. The characteristic FTIR spectrum reflects the vibrational modes of water molecules and hydroxyl groups available in the material. From the absorption spectrum, the lower cutoff wavelength of RbHOH was at 260 nm with an energy gap of 4.74 eV. From TG/DSC, the thermal stability of RbHOH is around 91 °C. The normal indentation size effect of the material was verified with the help of Vickers microhardness analysis.Dielectric measurement has been performed over a wide range of temperature, as a function of frequencies. The third-order nonlinear susceptibility of RbHOH was calculated as 3.95242 × 10−6 esu.

Crystal growth and characterization of 2-amino-6-methylpyridinium p-chlorobenzoate dihydrate single crystal: a novel third-order nonlinear optical material for optoelectronic applications

Crystal growth and characterization of 2-amino-6-methylpyridinium p-chlorobenzoate dihydrate single crystal: a novel third-order nonlinear optical material for optoelectronic applications

Fluorescence identification of arthropathic calcium pyrophosphate single crystals using alizarin red S and a xanthene dipicolylamine ZnII complex.

Calcium pyrophosphate deposition disease, previously known as pseudogout, is a type of chronic and painful joint arthropathy. Accurate identification of calcium pyrophosphate dihydrate (CPPD) single crystals is crucial for determining the best course of treatment. In this study, a two-step method involving alizarin red S (ARS) and a xanthene dipicolylamine ZnII (XDZ) complex was employed for the identification of CPPD single crystals in both triclinic and monoclinic forms using a fluorescence microscope and a microplate reader. The accurate identification method proposed in this study has the potential to advance the diagnosis and treatment of patients suffering from painful gouty arthritis.

Electron paramagnetic resonance study of the paramagnetic centers in gamma-irradiated oxalic acid dihydrate single crystal

The Electron Paramagnetic Resonance (EPR) spectra of the radicals produced by γ-irradiation of a single crystal of oxalic acid dihydrate (C2H6O6) have been reported. The EPR spectra of gamma-irradiated single crystals of oxalic acid dihydrate have been studied for different orientations of crystals in a magnetic field. As a result of studies carried out along three axes, it has been determined that there are two biradicals. The EPR spectra have been investigated at temperatures between 125 and 450 K. The spectra have been found to be temperature independent. The g values of the radiation damage centers observed in oxalic acid dihydrate acid single crystal and the hyperfine structure constants of the free electron with nearby protons have been obtained from the single crystal EPR analysis.

Physicochemical and quantum chemical calculations on new bis (2-amino-6-methylpyridinium 3,4–dimethoxybenzoate) dihydrate organic single crystal for third order nonlinear optical applications

In this work, organic new bis (2-amino-6-methylpyridinium 3,4-dimethoxybenzoate) dihydrate (2A6MD) single crystal was grown by slow evaporation method with the dimensions 20 × 4 × 10 mm3. The structure of grown crystal was confirmed via the single crystal X-ray diffraction. It showed that 2A6MD compound crystallizes in a monoclinic crystal system with Centro symmetric space group P21/n. Powder X-ray diffraction analysis confirmed the crystalline nature 2A6MD crystal. FT-IR and 1H NMR spectra were carried out to confirm the functional groups and various hydrogen exposures in the 2A6MD crystal. UV-Vis spectrometer studies showed that 2A6MD crystal has a lower cut-off wavelength in the UV region and good optical transmittance in the entire visible region. Photoluminescence spectrum reveals the high emission peak at 366 nm with an excitation wavelength of 334 nm. Thermal stability and melting point of the synthesized 2A6MD crystal were investigated using TG-DSC measurement. Vickers's micro hardness test declares that mechanical stability of the grown crystal and their yield strength, elastic stiffness values were evaluated. The chemical etching was analyzed on the 2A6MD surface and the results expressed the growth feature of the crystal. Nonlinear absorption co-efficient, nonlinear refraction and third order susceptibility of synthesized 2A6MD crystal was evaluated by the Z- scan method. The density functional theory (DFT) computations with B3LYP/6-311++G (d,P) basis set to theoretically optimize the molecular geometry, HOMO-LUMO energies, molecular electrostatic potential, NBO analysis and first order hyperpolarizability of 2A6MD confirmed the nonlinear property.

Discussion on spectral, electrical and third-order nonlinear optical susceptibility of semi-organic tris(cyclohexylammonium) tris(o-chlorobenzoate) dihydrate single crystal

A semi-organic single crystal named tris(cyclohexylammonium) tris(o-chlorobenzoate) dihydrate (TCTCDH) had been successfully grown applying slow evaporation procedure. The developed crystal was involved for various characterization techniques. The structural property of the sample had been analyzed employing powder XRD study. The FT-IR spectral study was applied to confirm the existence of functional groups in the title compound. The optical property of the grown material has been explored using UV-visible NIR spectral study. The dielectric constant and dielectric loss were calculated to analyze the electrical property of the titular crystal. The third-order nonlinear susceptibility of the grown material was studied employing Z-scan technique using semiconductor laser at 532 nm. The thermal behavior of TCTCDH compound was ascertained using thermo-gravimetric analysis (TGA) and differential scanning calorimetry (DSC) analysis. The Vicker’s hardness study was employed to determine the mechanical stability of TCTCDH compound.