Semiorganic Nonlinear Optical Material Research Articles

Growth, spectral, thermal, dielectric, mechanical, linear and nonlinear optical, birefringence, laser damage threshold studies of semi-organic crystal: Dibrucinium sulfate heptahydrate

Dibrucinium sulfate heptahydrate (DBSH), a semi-organic nonlinear optical material, has been synthesized and single crystals were grown from water–ethanol solution at room temperature up to dimensions of 10×7×2mm3. The unitcellparameters were determined from single crystal andpowder X-ray diffractionstudies. The structural perfection of the grown crystal has been analyzed by high-resolution X-ray diffraction (HRXRD) study. FTIRand Raman studies were performed to identify the functionalgroupspresent in the title compound. The activation energy (E), entropy (ΔS), enthalpy (ΔH) and Gibbs free energy (ΔG), of the thermal decomposition reaction have been derived from thermo gravimetric (TGA) and differential thermal (DTA) analysis curves, using Coats–Redfern method. The variation of dielectric properties of the grown crystal with respect to frequency has been investigated at different temperatures. Microhardness measurements revealed the mechanical strength of grown crystal. The optical parameters, the optical band gap Eg and width of localized states Eu were determined using the transmittance data in the spectral range 200–800nm. The relative second harmonic efficiency of the compound is found to be 1.4 times greater than that of KDP. Birefringence and Laser damage threshold studies were carried out for the grown crystal.

Synthesis, growth and characterization of l-asparagine cadmium bromide: A novel semiorganic nonlinear optical single crystal

Single crystal of l-asparagine cadmium bromide (LACB), a semiorganic nonlinear optical material was grown by solution growth method at the room temperature. The grown crystals were characterized by single crystal and powder X-ray diffraction analysis and it was found to be the structure of the crystal was belongs to orthorhombic system. The UV–vis–NIR spectroscopic study revealed that the crystal has good optical transparency and lower cut off wavelength was found to be 230nm. The presence of functional group was identified by Fourier transform infrared (FTIR) analysis. The chemical composition was confirmed by elemental analysis. The mechanical strength was studied and found to be 100g by using Vicker's micro hardness tester. The thermal stability was found to be 218°C by using TGA and DTA analysis. The second harmonic generation efficiency was carried out by using Kurtz–Perry powder technique and it was found to be 3.4 times higher than KDP crystal.

Crystal growth, spectral, optical and thermal properties of semiorganic nonlinear optical material: Picolinic acid hydrochloride

The bulk single crystal of 2-picolinic acid hydrochloride (PHCL) (a semi-organic nonlinear optical material of dimensions 25×15×10mm3) was successfully grown by slow solvent evaporation technique. The XRD results revealed the cell parameters and the centrosymmetric nature of the crystal structure. FT-IR spectral study identified the functional groups, nature of bonding and their bond strength. The UV–Vis–NIR studies recognized the optical transmittance window and the lower cut off wavelength of the PHCL crystal and thus it could be performed as a NLO material. 1H NMR and 13CNMR spectra were correlated with the XRD standard for the molecular structure reveals harmony of the materials. Thermal properties of the crystal were studied by thermo gravimetric analysis (TGA) and differential thermal analysis (DTA); the derived kinetic parameter values support the intuitive association of picolinicacid and HCl leads to the spontaneous formation of PHCL with a first order reaction. The presence of a proton and a proton acceptor groups provide the necessary stability to induce charge asymmetry in the PHCL structure. The load dependent hardness values of the crystal were measured by microhardness testing.

Growth, electronic absorption and vibrational spectral analysis of semiorganic nonlinear optical material potassium acid phthalate: A scaled quantum mechanical force field study

The spectroscopic properties of the crystallized semiorganic nonlinear optical molecule Potassium Acid Phthalate (KAP) have been recorded and analyzed by FT-IR, Raman and UV techniques. The spectra were interpreted with the aid of normal coordinate analysis following structure optimizations and force field calculations based on density functional theory (DFT) at the B3LYP/6-311+G(d,p) level of theory. Normal coordinate calculations were performed using the DFT force field corrected by a recommended set of scaling factors yielding fairly good agreement between the observed and calculated wavenumbers. KAP is thermally stable up to 275.0°C and optically transparent in the visible region.

Growth and design of novel nonlinear optical material (NLO) ⿿ Glycine barium nitrate potassium nitrate (GBNPN) crystal

A potentially useful semi organic nonlinear optical (NLO) material ⿿ glycine with barium nitrate and potassium nitrate (GBNPN) has been synthesized by slow evaporation technique. Good transparent GBNPN crystals were obtained in a time span of 3 weeks. The grown crystals were characterized by single crystal/powder XRD, UV⿿vis⿿IR absorption, FTIR, thermal analysis and powder SHG measurements have been studied. The grown crystals were thermally stable up to 137.53°C. The GBNPN crystal exhibits second harmonic generation efficiency of about 1.35 times than that of potassium di hydrogen phosphate (KDP). Mechanical properties such as micro hardness (Hv) and Mayer's index, n, have been carried out by indentation method. The refractive index (μ) has been measured by the Brewster's angle method.

Growth and characterization of nonlinear optical crystal Bis Thiourea Zinc Acetate (BTZA) in the presence of l-Proline

Single crystal of 2mol% l-Proline doped Bis Thiourea Zinc Acetate (BTZA), a semi organic nonlinear optical material has been grown using slow evaporation technique. Good quality single crystal with dimension 11×7×3mm3 was harvested after 30days. The influence of amino acid l-Proline was studied for 1, 2 and 3mol% l-Proline doped BTZA using Kurtz and Perry powder second harmonic generation test. This was compared with pure BTZA which confirms the enhancement of second harmonic generation property of l-Proline doped BTZA. Better enhancement was found in 2mol% l-Proline doping. The grown crystal was characterized using single crystal X-ray diffraction, Fourier Transform Infra Red spectroscopy (FTIR) analysis, UV–Visible absorption and thermogravimetric analysis.

Experimental and theoretical characterization of semiorganic nonlinear optical material l-leucine hydrobromide

Semiorganic nonlinear optical material l-leucine hydrobromide (LEHBr) has been synthesized and single crystals were grown by solvent evaporation method at a constant temperature of 35°C. CHN test, FTIR and XRD analysis were performed for identification of the material. Thermal and mechanical stability of the grown crystal were investigated by DTA-TGA analysis and microhardness measurement respectively. Suitability of LEHBr for NLO application was studied by optical transmission study and second harmonic generation (SHG) efficiency measurement. SHG efficiency was found to be 4 times of KDP. First hyperpolarizability, dipole moment and polarizability of LEHBr were calculated at the framework of Hartree–Fock (HF) with 6-311G(d) basis set. First order hyperpolarizability was found to be 3.233×10−33esu which is 4.9 times of urea.

Effect of sodium chloride on the properties of ZTS single crystals

Single crystals of zinc tris thiourea sulphate (ZTS) and sodium chloride (NaCl) doped zinc tris thiourea sulphate, a semiorganic nonlinear optical material were successfully grown from aqueous solution by the slow evaporation technique at room temperature. The structural, optical and thermal properties of grown crystals were studied. Structural analysis was carried out by X-ray diffractometer and observed that the grown crystals belong to orthorhombic system. Fourier transform infrared spectrum was obtained to confirm the functional groups. Thermal behaviour of the grown crystals was investigated by TGA and DSC. Second harmonic generation (SHG) efficiency measurements of Pure and NaCl doped ZTS single crystals were carried out by Kurtz powder technique. The UV–visible spectrum showed that the material possessed wide transparency in the entire visible region. The Vicker’s microhardness number was found to increase with the increased sodium chloride substitution.

Synthesis, growth, morphology of the semiorganic nonlinear optical crystal L‐glutamic acid hydrochloride and its structural, thermal and SHG characterizations

AbstractOne of the halide derivatives of L‐glutamic acid which was identified as a semiorganic nonlinear optical material, L‐glutamic acid hydrochloride [HOOC(CH2)2CH(NH2)COOH.HCl], was grown as bulk single crystal and its significant properties were characterized. The stoichiometric title compound was synthesized and the solubility of its recrystallized form in DD water was determined in the temperature range 30–80 °C by gravimetric method. Structural confirmation was carried out by powder X‐ray diffraction study through lattice parameter verification. Optical quality smaller dimension single crystals were grown from aqueous solution by self nucleation through slow evaporation of solvent method and a large dimension single crystal was grown by slow cooling method with reversible seed rotation technique. Morphological importances of different growth facets of the as grown crystals were studied through optical goniometry. Unit cell structure of the grown crystal was refined by single crystal X‐ray diffraction analysis, functional groups present in the crystal responsible for various modes of vibrations were confirmed by FTIR spectroscopy analysis, thermal stability of the grown crytal was analysed by TG/DTA and DSC and second harmonic generation (SHG) of a fundamental Nd:YAG laser beam by Kurtz technique. Results indicate that the grown crystal is in stoichiometric composition and has significant improvement in its thermal and SHG properties when compared to pure L‐glutamic acid polymorphs.

Growth, nonlinear optical, thermal, dielectric and laser damage threshold studies of semiorganic crystal: Monohydrate piperazine hydrogen phosphate

Monohydrate piperazine hydrogen phosphate (MPHP), a semi organic nonlinear optical material has been synthesized and single crystals were grown from aqueous solution by slow evaporation technique. Single crystal X-ray diffraction study on grown crystal reveals that they belong to monoclinic crystal system with space group P21/c; (a=6.39Å; b=12.22Å; c=11.16Å; β=97.14°; V=864Å3). The structural perfection of the grown crystal was analyzed by high-resolution X-ray diffraction (HRXRD) rocking curve measurements. FTIR spectrum confirms the presence of the functional groups in synthesized material. UV–Vis spectrum indicates that the crystal is transparent in the entire visible region with a lower cut off wavelength of 387nm. The variation of dielectric properties of the grown crystal with respect to frequency has been investigated at different temperatures. Thermal analysis carried out on the MPHP crystal shows that the crystal is stable up to 135°C. Relative powder second harmonic generation efficiency tested by Kurtz–Perry powder technique, which was about 0.638 times that of Potassium dihydrogen phosphate.

Linear and Nonlinear Optical Properties of L- Histidinium Perchlorate (LHPCl) Single Crystal

L- Histidinium Perchlorate, a semi organic nonlinear optical material was grown by solution growth method. The absorption studies show minimum absorption in the entire visible region. The optical band gap (Eg) value of the grown crystal is obtained from the tauc’s plot of (αhν)2 vs hν which was determined by extrapolating the linear region of the curve to the hν axis where (αhν)2=0. Furthermore linear optical parameters such as Extinction coefficient, Reflectance, Refractive index, Complex dielectric constant and Optical conductivity are calculated and its variation with incident photon energy is analyzed. Second Harmonic Generating (SHG) efficiency of the candidate material was determined by Nd:YAG Q-switched laser Kurtz powder techinqe and its 3.19 times greater than KDP.

Synthesis, Growth and Characterisation of Novel Semiorganic Material: Lithium Boro-Succinate

Single crystal of lithium boro-succinate (LiBS), a semiorganic nonlinear optical material has been grown by slow evaporation method at ambient temperature. The lattice parameter and crystal structure were analysed by powder XRD. The optical transmission spectra revealed optical properties of the grown crystal. FTIR studies confirm the presence of functional group. TGA/DSC studies were carried to find the melting point of the material. Micro hardness has been estimated from LiBS crystal at different forces and various constants were determined by Vickers hardness test.

Crystal growth and optical studies on a semi organic nonlinear optical material for laser blue-green generation

In recent days amino acid single crystals are gaining importance due to good optical behavior. The title compound l-alanine lithium chloride (LAL), a semi-organic nonlinear optical material has been grown by slow evaporation technique. The material was characterized by single crystal XRD and FT-IR spectroscopic analysis. The growth mechanism and surface features are investigated by optical microscopic techniques such as scanning electron microscopy (SEM) and atomic force microscopy (AFM). The etching study indicates the occurrence of different types of etch pit patterns like striations, triangular etch pits and step like pattern. The UV–Vis transmittance spectrum shows that it has a good transmittance in the entire visible region with the lower cutoff wavelength at 252nm. Fluorescence spectral studies were carried out for LAL crystal. The SHG conversion efficiency and laser damage threshold were measured using an Nd:YAG laser (1064nm).

Synthesis and Characterization of L-Alanine Sodium Bromide: A New Semi Organic Nonlinear Optical Material

ABSTRACT A new semi organic nonlinear optical crystal, L-Alanine Sodium Bromide has been grown from aqueous solution by slow evaporation technique. L-Alanine and Sodium Bromide were used in the ratio 1:1 for synthesis. Crystals of size 20×10×4 mm 3 have been obtained in 30 days. Characterizations were carried out to study the structural, optical and mechanical properties of the grown crystals. Single crystal X- ray diffraction analysis shows that the grown crystal belongs to the monoclinic system. The crystalline nature and its various planes of reflections were observed by the powder XRD analysis. The chemical compositions of the grown crystals were determined by FTIR spectral analysis. The transmittance, absorption and reflection of the crystal were studied by UV- Visible spectrometer. The mechanical properties of the grown crystals were studied using Vickers micro hardness measurement. Keywords: Characterization, Slow evaporation, Crystal structure, Nonlinear material.

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 3.4479eV. Second order nonlinear optical property of the grown crystal has been confirmed by modified Kurtz–Perry powder second harmonic generation (SHG) test.

Amino acids-precursors for synthesizing nonlinear optical materials

Some new nonlinear optical materials were synthesized from amino acids l-arginine and l-valine and single crystals were grown from their aqueous solution by solvent evaporation method at constant temperature and slow cooling method. The synthesized materials were identified by carbon, hydrogen, nitrogen (CHN) test and single crystal X-ray diffraction (XRD) analysis. The grown crystals were characterized by measuring their thermal, optical and mechanical properties by Differential Thermal Analysis (DTA), Thermo Gravimetric Analysis (TGA), powder second harmonic generation (SHG) efficiency, damage threshold and microhardness measurements. Our study shows that halides of l-arginine and l-valine are promising Nonlinear Optical (NLO) materials having Second Harmonic Generation (SHG) efficiency, mechanical and thermal stability greater than other semi-organic NLO materials. But among the halide salts, l-valine hydrobromide (LVHBr) emerged as most promising NLO materials as far as SHG efficiency, and damage threshold are concerned.

Growth and characterization of l-histidine cadmium chloride monohydrate a semiorganic nonlinear optical crystals

l-histidine cadmium chloride monohydrate (LHCCM), a semiorganic nonlinear optical material was grown from aqueous solution by slow solvent evaporation method at room temperature. The LHCCM crystals were characterized by X-ray powder diffraction analysis. The presence of functional groups was identified through fourier transform infrared spectroscopy. Thermogravimetric and differential thermal analysis confirms that the crystal is stable up to 277°C. The dielectric constant was studied as a function of frequency for various temperatures. The mechanical properties of the grown crystals have been studied using Vickers microhardness tester. The second harmonic generation behavior of LHCCM crystal was tested by modified Kurtz–Perry powder technique.

Synthesis, growth and characterization of a semiorganic nonlinear optical single crystal: L-Valine cadmium bromide

A semiorganic nonlinear optical material L-valine cadmium bromide was synthesized and single crystal grown from an aqueous solution by the method of slow evaporation technique at room temperature. The grown crystal was characterized by Powder X-ray diffraction and FT IR studies. The LVCB crystallizes in monoclinic system with cell parameters a=10.144(2)Å, b=5.54(1)Å, c=12.07(2)Å, β=109.115(2)° with space group P21. Thermal behavior and stability of crystal were studied using thermogravimetric analyses (TGA) and differential thermal analysis (DTA) techniques. The suitability of this material for NLO application was studied by optical absorption studies and second harmonic generation (SHG) efficiency measurement by Kurtz–Perry powder method.

Crystal growth, spectral, optical, and thermal characterization of glycyl-l-alanine hydrochloride (GLAH) single crystal

A new semi-organic nonlinear optical material glycyl-l-alanine hydrochloride (GLAH) was grown successfully by slow evaporation solution growth method. The solubility of GLAH was estimated for a wide range of temperatures. Large size single crystal of size 15 × 9 × 6 mm3 was grown at room temperature. The grown crystal was subjected to single crystal X-ray diffraction study which confirms that the grown crystal is monoclinic in nature with the space group P21. The molecular weight of the title compound was estimated by mass spectrometry. Functional groups and the modes of vibrations were identified by FT-IR spectral analysis. The UV–visible spectral study reveals that the percentage of optical transmission of the sample is very high in the entire visible and UV regions. The second harmonic generation of the crystal was confirmed by the Kurtz and Perry technique. The hardness of the sample was tested by microhardness test which shows that the grown crystal belongs to the soft category of materials. The thermal stability of the compound was studied by TG–DTA analyses which indicate that the crystal is thermally stable up to 248.6 °C.

Synthesis, growth, optical, mechanical and electrical properties of L-lysine L-lysinium dichloride nitrate (L-LLDN) single crystal

Semi-organic nonlinear optical material, L-lysine L-lysinium dichloride nitrate (2C6H15N2O $_{2}^{+}$ · H + · NO $_{3}^{-}$ · 2Cl − ) was synthesized at room temperature. Single crystals of L-LLDN were grown by slow cooling solution growth technique. The grown crystal was confirmed by powder X-ray diffraction analysis. The crystalline perfection of the grown single crystal was characterized by high-resolution X-ray diffraction (HRXRD) studies. The cut-off wavelength was determined by UV-vis transmission spectral analysis. The frequency doubling of the grown crystal was confirmed by powder second harmonic generation (SHG) measurement. The refractive index and birefringence of the crystal were determined using He–Ne laser source. Mechanical property of the crystal was determined by Vickers hardness tester. The frequency and temperature dependence of dielectric constant (ε r), dielectric loss (tan δ) and a.c. conductivity (σ ac) were also measured.