Semiorganic Crystal 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

Synthesis, characterization and evaluation of optically active polar semi-organic glycine-cobalt chloride crystals

Synthesis, characterization and evaluation of optically active polar semi-organic glycine-cobalt chloride crystals

Comment on the paper “synthesis, nucleation kinetics, spectral, structural, mechanical, and thermal studies of semi-organic barium-doped γ-glycine single crystal” by K. Premlatha et al. [J. Mater. Sci.: Mater. Electron. 32 (2021) 28494]

Comment on the paper “synthesis, nucleation kinetics, spectral, structural, mechanical, and thermal studies of semi-organic barium-doped γ-glycine single crystal” by K. Premlatha et al. [J. Mater. Sci.: Mater. Electron. 32 (2021) 28494]

Investigation on growth, structural, mechanical, linear and nonlinear optical properties of DiLithium Fumarate TetraHydrate single crystal

In this work reports on the growth and characterization of semiorganic NLO single crystal of DiLithium Fumarate TetraHydrate (DLFTH) using a slow evaporation technique. The crystal structure was an orthorhombic crystal system with the centrosymmetric space group Pbcn, as demonstrated by single crystal X-ray diffraction (SCXRD) investigations. The UV–Vis-NIR spectrum is used to derive optical parameters, such as the lower cut off wavelength (277 nm) and optical energy band gap Eg = 4.98 eV. DLFTH crystals belongs to hard material category using Vickers microhardness test. From NLO studies, the nonlinear optical parameters were studied, such as the nonlinear refractive index (n2), absorption coefficient (β) and third order NLO susceptibility (χ3). The crystal has the properties of saturable absorption and self-defocusing nature. Third order NLO susceptibility (χ3) were found to be 4.14384 × 10-10esu. The higher χ3 number is due to the presence of hydrogen bonds between C-H-O and O-H-O atoms. Therefore, we confirm that it’s applicability for optical device applications.

A semi-organic l-glutamic acid cadmium chloride single crystal: preparation, crystal structure, and physicochemical characterization for nonlinear optical applications

A semi-organic l-glutamic acid cadmium chloride single crystal: preparation, crystal structure, and physicochemical characterization for nonlinear optical applications

Studies on the physico-chemical properties of semi-organic nonlinear optical (NLO) material: 2-CPPC [2-CNPyH][ClO4]

Semi-organic NLO single crystals 2-cyanopyridinium perchlorate (2-CPPC) were successfully grown by the method of slow evaporation of solvent at room temperature (27 °C) by using acetone as a solvent and of dimension 15×12×3mm3. The powder X-ray diffraction (XRD) of the grown crystal has been investigated. The UV–vis study estimates the transmission range, refractive index, extinction coefficient, band gap, and reflectance of the grown 2-CPPC crystal. The fluorescence spectra of the grown crystal were also recorded. The presence of different functional groups and the vibrational modes were confirmed by using FTIR analysis. The crystal's mechanical properties were studied by a Vickers microhardness tester. Single beam Z-scan technique using He–Ne laser is used to study the third-order NLO properties.

Growth of L asparagine monohydrate doped potassium dihydrogen phosphate semiorganic crystals and its structural, thermal and optical properties

A novel semiorganic crystal is harvested by doping organic amino acid L asparagine monohydrate (LAM) with inorganic compound Potassium dihydrogen phosphate (KDP) by adopting slow evaporation method. Rietveld refinement of the XRD data was performed and the structural study exhibits single phase nature of the LAM doped KDP (LAM-KDP) crystals with a slight decrease in c-axis of the unit cell parameters. Other crystallographic parameters such as crystallite size and strain were also evaluated. The interaction of LAM with KDP was studied from FT-IR analysis by detecting functional groups. The constituting elements of the crystal were identified by energy dispersive X-ray (EDX) analysis. Etching study has been employed to study surface morphology of these crystals. From UV–vis transmittance data, optical band gap and different optical constants like Urbach energy, dielectric constants, electrical and optical conductivities were evaluated. Optical transparency of the LAM-KDP crystals is observed to increase. The third order nonlinear susceptibility χ(3) and nonlinear refractive index n2 of the grown crystals have been predicted using empirical Miller's rule. The value of χ(3) has increased from 1.87 × 10−13 esu to 4.29 × 10−13 esu due to LAM doping. Change in enthalpy (ΔH), change in Gibb's free energy (ΔG) and activation energy Ea during chemical reaction were calculated by thermogravimetric analysis (TGA). Thermal decomposition characteristics of the crystals were analyzed by differential scanning calorimetry (DSC). The high transparency of LAM-KDP crystals in the entire visible spectrum and larger values of nonlinear susceptibility χ(3) and nonlinear refractive index n2 make the synthesized crystal applicable for NLO and optoelectronic devices applications.

Preparation, crystal structure and physicochemical characterization of a semi-organic l-glutamic acid lithium chloride single crystal for nonlinear optical applications

Preparation, crystal structure and physicochemical characterization of a semi-organic l-glutamic acid lithium chloride single crystal for nonlinear optical applications

Molecular electrostatic potential (MEP), thermodynamic properties and spectral analysis of methyl orange doped L–lysine sulfate (MLLS) semi organic crystals

AbstractSemi organic compounds enable several structural and bonding methods for the molecular engineering of novel materials. The optical analysis, methyl orange doped L‐lysine sulfate (MLLS) is an innovative NLO material enabling the rate of frequency up change for stronger systems with lasers in the UV range with clear absorption. With this experimental studies the theoretical studies of the L‐lysine sulfate and its molecules were studied using Gaussian09w software. X‐ray analysis, UV, FTIR, NMR, Mulliken Charges, HOMO‐LUMO, MEP and some related thermodynamic properties were studied. The chosen nucleophilic site is symbolized by the color red, the more popular electrophilic site has been highlighted during MEP mapping. Spectroscopical and thermodynamical properties related to functional behavior of molecules were also discussed with obtained results.

Growth, characterization and second harmonic generation NLO activity of semi-organic crystal: l-arginine picrate crystal doped with nickel chloride

Growth, characterization and second harmonic generation NLO activity of semi-organic crystal: l-arginine picrate crystal doped with nickel chloride

Synthesis, molecular structure, experimental and computational studies, nonlinear optical properties of amaranth dye doped L-lysine sulphate (ALLS) semiorganic crystal

A polycrystals of amaranth dye-doped L-lysine sulphate (ALLS) was synthesized and fabricated as a single crystal utilizing the solution-based growth approach and confirmed the orthorhombic structure through XRay diffraction anlaysis. The ALLS molecule was optimized in Gaussian 09 W utilizing the density functional theory (LANL2DZ/DFT) basis. Along with PED, the Fourier transform infrared (FTIR) spectroscopy helps vibrational assignments of ALLS were both theoretically and experimentally suited to one another. The FMO energies of ALLS molecules are used to derive quantum chemical parameters. To study the properties of charges existing at the molecular structure level, DOS, MESP, and MULLIKEN studies were performed. To figure out the compound's NLO activity, hyperpolarisability values are calculated. ELF, LOL, and RDG topological studies were carried out through which the localization and delocalization of electrons were found. MEP gives the relative polarity and the UV absorption gives maximum absorption at 414 nm were recorded. Additionally, ALLS's thermodynamic parameters were calculated. The NLO behaviour of the LLS complex was improved by amaranth dye, and ALLS has been suggested as a suitable compound for the fabrication of NLO devices as an outcome of both experimental and computational results.

Trithionic guanidine: A novel semi-organic short-wave ultraviolet nonlinear optical sulfate with dimeric heteroleptic tetrahedra

Sulfates are always promising short-wave ultraviolet (UV) nonlinear optical (NLO) candidates, if their birefringence could be greatly improved. Here, in terms of the insufficient birefringence, the unity of heteroleptic tetrahedral groups and triangular ones was proposed and implemented. Thus, a new semi-organic crystal, [C(NH2)3]S3O6 (G2S3O6), was obtained, which is composed of [S3O6]2− and [C(NH2)3]+ groups. It exhibits excellent optical properties with a short absorption cutoff edge of 218 nm, a strong NLO response of 1.4 × KH2PO4, and more especially, a large birefringence of 0.097@546 nm. This birefringence leap makes the G2S3O6 crystal achieve a phase-matching behavior under a 532 nm laser. Thus, the synergy of [S3O6]2− and [C(NH2)3]+ groups results in excellent optical performances. This finding opens a new horizon for exploring novel UV NLO crystals.

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

Characterizing the molecules of methylene blue doped glycine magnesium chloride (MDGMC) semi-organic crystal in virtue of quantum computational and analytical approach for photonics

Characterizing the molecules of methylene blue doped glycine magnesium chloride (MDGMC) semi-organic crystal in virtue of quantum computational and analytical approach for photonics

Growth, structural, thermal, and optical characteristics of L-asparagine monohydrate doped magnesium sulphate heptahydrate semiorganic crystals

A novel semi-organic crystal has been grown using slow evaporation technique by doping organic compound L-asparagine monohydrate (C4H8N2O3·H2O) with inorganic material Magnesium sulphate heptahydrate (MgSO4·7H2O). The crystallographic parameters like strain, dislocation density and crystallite size were calculated by powder X-ray diffraction method. Functional groups were identified and bond length, force constants were calculated from FT-IR spectroscopy. Energy dispersive X-ray (EDX) analysis was used to identify the constituent elements of the crystal. Kinetic and thermodynamic parameters, such as, activation energy Ea, change in Gibb's free energy (ΔG) and change in enthalpy (ΔH) have been determined by thermogravimetric analysis (TGA) analysis. Ea, ΔH and ΔG show positive values and change in entropy (ΔS) shows negative ones. The thermal degradation behavior of the crystals has been analyzed by differential scanning calorimetry (DSC) analysis. Various optical constants such as optical band gap, lattice dielectric constant, absorbance, extinction coefficient, the ratio of free charge carrier concentration to the effective mass, Urbach energy, optical and electrical conductivities were estimated from UV–vis transmittance data. High optical conductivity (1010 s−1) justifies the good photo response nature of the semi-organic crystal.

Growth and characterization of semi-organic, second and third-order nonlinear optical (NLO) L-phenylalanine cadmium bromide (LPCB) single crystals

Growth and characterization of semi-organic, second and third-order nonlinear optical (NLO) L-phenylalanine cadmium bromide (LPCB) single crystals

Third order nonlinear optical, dielectric, photoluminescence and thermal analysis of Gd3+ doped glycine copper chloride (GCC) crystals

In the present investigations, metal-organic third order nonlinear optical (NLO) crystals of glycine copper chloride (GCC) and gadolinium (Gd) doped GCC with molecular formula (C2H5NO2CuCl2)1−x [Gd(NO3)3]x, where [x = 0.05, 0.10, 0.20] have been successfully grown. The growth of these semi-organic crystal compositions has been achieved at room temperature by slow solvent evaporation technique. The crystals exhibit excellent properties which get confirmed by various characterization studies like single crystal X – ray diffraction (SCXRD), powder X – ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR), ultraviolet visible spectroscopy (UV – Vis), photoluminescence (PL) spectroscopy, thermal analysis, electrical and nonlinear optical studies. SCXRD confirms that the grown crystal crystallizes in tetragonal crystal system having space group P42/mnm. The PXRD shows the appearance of sharp and strong peaks which refers to the good crystallinity and phase purity of the grown crystals. FTIR was recorded in order to identify various expected functional group. Linear optical behaviour using UV – Vis confirms the compositions to have good optical transmission in the entire visible region and lower cutoff wavelength ranging between 225 and 244 nm which is essential parameter for developing optoelectronic devices. The band gap value comes out to be in the range of 5.43 – 5.53 eV. The grown crystals possess excellent thermal stability. Results of dielectric studies conducted as a function of temperature divulged the electrical properties of crystals. Third – order nonlinear optical (TONLO) response have been observed using Z – scan setup. The calculated TONLO parameters n2, β, and χ(3) shows large value suggests that grown compositions can be used in practical non linear optical device applications.

A Quantum Chemical and Nonlinear Optical Investigation on L-Tryptophan Hydrochloride Single Crystals for Optoelectronic Device Applications

In this study, a semi-organic crystal of L-tryptophan hydrochloride (LTHC) has been synthesized and quality crystals has been grown using a slow evaporation technique. Singe crystal XRD confirms the monoclinic system with space group P21. UV optical studies displays the transmittance in the entire visible region. The Mulliken charge distribution and MEP mapping show significant charge transfer due to nucleophilic and electrophilic moieties. The molecule's chemical reactivity was examined using HOMO-LUMO and MESP investigations. The crystal's nonlinear properties were studied using the Kurtz-Perry method. These findings suggest that LTHC crystals may have potential applications in the field of nonlinear optics.

Synthesis, Growth and Characterization of Magnesium Sulfate Doped L-Leucinium Oxalate Semi-Organic Crystal for Laser Applications

Synthesis, Growth and Characterization of Magnesium Sulfate Doped L-Leucinium Oxalate Semi-Organic Crystal for Laser Applications

Growth and characterization of L - Methionine Barium Bromide (LMBB) semi-organic crystal for optical limiting applications

The semi-organic nonlinear optical single crystal was grown from an aqueous solution by a slow evaporation solution technique (SEST) at room temperature. The characterization of the crystal was made using single crystal x-ray diffraction analysis and it was found to be L-Methionine Barium Bromide (LMBB) crystallized in a monoclinic system with space group C2/c and the cell parameter values are a= 10.74Å, b= 7.39Å, c= 8.69Å, α = γ = 90°, β = 113.53°. The UV-Vis-NIR spectroscopic study revealed that the crystal has good optical transparency and a lower cut-off wavelength was found to be 246 nm and also evaluated linear optical properties such as extinction coefficient and reflectance. The luminescence behavior of LMBB has been analyzed by fluorescence (FL) spectral study. The presence of functional groups in the LMBB is confirmed by FT-IR and FT-Raman vibrational patterns. The hardness (Hv), Meyer’s index (n), elastic stiffness constant (C11), yield strength (σy), knoop hardness (Hk), fracture toughness (Kc), and brittleness index (Bi) were analyzed using Vickers microhardness tester. Dielectric behavior as a function of frequency was examined. The laser-induced damage threshold value was found to be higher than that of KDP. The surface morphology of the as-grown crystal was determined using the SEM technique. Energy dispersive X-ray analysis was used to determine the chemical composition of the LMBB crystal. The nonlinearity coefficient (β) is measured as 1.7 × 10−11 m/W using the open aperture Z-scan technique (Nd: YAG, 532 nm, 9 ns), which results from an effective two-photon absorption phenomenon. The resulting optical limiting behavior has a fluence threshold of 8.26 × 1012 W/m2 making the LMBB a potential candidate for optical limiting devices.