Growth and characterization of novel organic 3-Hydroxy Benzaldehyde-N-methyl 4 Stilbazolium Tosylate crystals for NLO applications.

The 3-Hydroxy Benzaldehyde-N-methyl 4-Stilbazolium Tosylate (3- HBST) is a new organic NLO crystal and it is a new derivative in stilbazolium tosylate family. In this work we have synthesized 3-HBST and the single crystal was grown by conventional slow cooling method. The structure and lattice parameters of the grown crystal were determined by the single crystal X-ray diffraction (XRD) technique and it is exhibiting good crystalline nature which is observed from the powder XRD. In order to check the crystalline quality the rocking curve was recorded using multi crystal X-ray diffractometer. The functional groups were identified from both FTIR and NMR spectral analyses. The π-π* and n-π* optical transition energy levels were estimated from the absorption peaks. The NLO property was confirmed by measuring relative SHG efficiency by Kurtz powder test; it shows 24 times higher SHG efficiency than that of urea. In order to test the mechanical stability the Vickers and Knoop micro hardness measurement were carried out and found that the micro hardness number decreases with increasing load. The melting point was determined from Differential Scanning Colorimetry (DSC).

Growth and characterization of a new organic single crystal: 1-(4-Nitrophenyl) pyrrolidine (4NPY).

A new 1-(4-Nitrophenyl) pyrrolidine single crystal has grown by slow evaporation solution growth technique. The grown crystal have characterized by single crystal X-ray analysis, and it shows that 1-(4-Nitrophenyl) pyrrolidine crystallizes in the orthorhombic space group Pbca, with cell parameters a=10.3270 (5)Å, b=9.9458 (6)Å, c=18.6934 (12)Å, and Z=8. Powder XRD pattern confirmed that grown crystal posses highly crystalline nature. The functional groups have identified by using FTIR spectral analysis. The absorbance and the luminescence spectra of the title compound have analyzed using UV-Visible and PL spectra. The thermo analytical properties of the crystal have studied using TG/DTA spectrum. The mechanical property of the grown crystal has determined using Vickers micro hardness measurement. The grown features of the crystal have analyzed using etching technique.

Growth, spectral, optical, thermal, surface analysis and third order nonlinear optical properties of an organic single crystal: 1-(2-Methyl-6-nitro-4-phenyl-3-quinolyl) ethanone.

Single crystal of 1-(2-Methyl-6-nitro-4-phenyl-3-quinolyl) ethanone was grown using slow evaporation solution growth technique. Single crystal X-ray diffraction study reveals the lattice parameters of the grown crystal. The modes of vibration of different molecular groups present in 2M6NQE were identified by FTIR spectral analysis. Its optical behavior was examined through UV-vis-NIR absorption and PL emission spectrum. They signify that the crystal has transparency in the region between 383 and 1100 nm. The PL spectrum of the title compound shows green emission in the crystal. From the thermal analysis, 2M6NQE has found to be thermally stable up to 263°C, and the melting point of the material is 170°C. The estimations of third order non-linear optical properties like non-linear absorption coefficient (ß), non-linear refractive index (n2) and susceptibility [χ(3)] were calculated using Z-scan technique. It has observed that, crystal exhibits reverse saturation absorption and self-defocusing performance. Etching study was carried out for the grown crystal using different solvents.

Synthesis aspects, structural, spectroscopic, antimicrobial and room temperature ferromagnetism of zinc iodide complex with Schiff based ligand.

In this paper, we report the successful growth of complex compound of zinc iodide with thiocarbamide by slow evaporation method. The single crystal XRD study reveals that the crystal belongs to monoclinic system with centrosymmetric space group and powder XRD analysis shows that the perfect crystalline nature of the crystal. The presence of functional group and element were confirmed from FT-IR and EDAX analysis. Optical absorbance of the grown crystal was studied by UV-Vis spectrophotometer. The optical constants were calculated from the optical absorbance data such as refractive index (n), extinction coefficient (K) and reflectance (R). The optical band gap (Eg) of thiocarbamide zinc iodide crystal is 4.22 eV. The magnetic properties of grown crystal have been determined by Vibrating Sample Magnetometry (VSM). Room temperature magnetization revealed a ferromagnetic behaviour for the grown crystal. The antibacterial and antifungal activities of the title compound were performed by well diffusion method and MIC method against the standard bacteria like Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia and against fungus like Aspergillus niger, Rhizopus sps and Penicillium sps. Thermal behaviour of the crystal has been investigated using thermogravimetric analysis (TGA) and differential thermal analysis (DTA).

Solid state parameters, structure elucidation, High Resolution X-Ray Diffraction (HRXRD), phase matching, thermal and impedance analysis on L-Proline trichloroacetate (L-PTCA) NLO single crystals.

Nonlinear optical single crystal of L-Proline trichloroacetate (L-PTCA) was successfully grown by Slow Evaporation Solution Technique (SEST). The grown crystals were subjected to single crystal X-ray diffraction analysis to confirm the structure. From the single crystal XRD data, solid state parameters were determined for the grown crystal. The crystalline perfection has been evaluated using high resolution X-ray diffractometer. The frequencies of various functional groups were identified from FTIR spectral analysis. The percentage of transmittance was obtained from UV Visible spectral analysis. TGA-DSC measurements indicate the thermal stability of the crystal. The dielectric constant, dielectric loss and ac conductivity were measured by the impedance analyzer. The DC conductivity was calculated by the cole-cole plot method.

Crystal growth and characterization of an organic nonlinear optical single crystal: 2,3-Dimethyl-N-[4-(Nitro) benzylidene] aniline.

An organic nonlinear optical material 2,3-Dimethyl-N-[4-(Nitro) benzylidene] aniline was synthesized by condensation reaction. The single crystals were grown by the slow evaporation technique at room temperature using ethyl acetate as solvent with large in size and having transparent nature. The unit cell parameters were determined and belong to a noncentrosymmetric orthorhombic crystal structure by single crystal X-ray diffraction. The crystalline nature of the synthesized material was recorded by the powder X-ray diffraction pattern. The molecular structure of the grown material was investigated by proton and carbon nuclear magnetic resonance, mass spectrum analysis. Functional groups were identified by the vibration spectrum analysis. The optical absorbance of the grown crystal was ascertained by Ultraviolet-Visible spectrum. Thermal behaviour and stability of the grown material was investigated by thermo gravimetric/differential thermal analysis. The nonlinear optic conversion efficiency was determined by powder technique and found to be 4.08 times greater that of KDP as a standard reference.

Synthesis, growth, crystal structure, spectral, thermal, mechanical and optical studies of stilbazolium derivative single crystal: 2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium naphthalene-2-sulfonate (DESNS).

Single crystals of organic optical material, 2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium naphthalene-2-sulfonate (DESNS) (15×10×9 mm(3)) were grown by a slow evaporation technique at room temperature using methanol-acetonitrile (1:1) mixed solvent. The molecular structure of the grown crystal was confirmed by single crystal X-ray diffraction studies, and it belongs to orthorhombic system with space group Pbca and the unit cell dimentions are a=11.5148(3) Å, b=15.4352(4) Å, c=27.2187(7) Å, Z=8. The crystallinity of the title crystals was confirmed from the powder XRD pattern. The presence of functional groups of the title crystal was confirmed from the FTIR spectral studies. The transparent range and cut off wavelength of the grown crystal was studied by the UV-Vis-NIR spectroscopic analysis. The mechanical properties and thermal behavior of the grown crystals were studied from Vickers microhardness test and TG/DTA.

Growth and characterization of an organic single crystal: 2-[2-(4-diethylamino-phenyl)-vinyl]-1-methyl-pyridinium iodide.

Optically transparent crystal of the organic salt DEASI (2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium iodide) has been synthesized by using knoevenagel condensation reaction method. The synthesized material has been purified by successfully recrystallization process. Single crystals of DEASI have been grown by slow evaporation technique at room temperature. The solubility of the title material has been determined at different temperature in acetonitrile/methanol mixture. The cell parameters and crystallinity of the title crystal were determined by single crystal XRD. The powder diffraction was carried out to study the reflection plane of the grown crystal and diffraction peaks were indexed. The presence of different functional groups in the crystal was confirmed by Fourier transform infrared (FTIR) analysis. (1)H NMR spectrum was recorded to confirm the presence of hydrogen nuclei in the synthesized material. The optical property of the title crystal was studied by UV-Vis-NIR spectroscopic analysis. The melting point and thermal property of DEASI were studied using TGA/DSC technique. The Vicker's hardness (Hv) was carried out to know the category. The dielectric constant and dielectric loss of the compound decreases with an increase in frequencies. Chemical etching studies showed that the DEASI grows in the two dimensional growth mechanisms. The Kurtz-Perry powder second harmonic generation (SHG) test has done for title crystal.

Growth, optical, luminescence, thermal and mechanical behavior of an organic single crystal: 3-Acetyl-2-methyl-4-phenylquinolin-1-ium chloride.

A single crystal of 3-acetyl-2-methyl-4-phenylquinolin-1-ium chloride has grown by slow evaporation solution growth technique using ethanol as solvent. The structural, thermal, optical and mechanical property has studied for the grown crystal. Single crystal XRD revealed that the crystal belongs to monoclinic system with space group P21/c. The presences of Functional groups in the crystallized material have confirmed using the FTIR vibrational spectrum. The optical absorbance spectrum recorded from 190 to 1100nm shows the cut-off wavelength occurs at 371nm. The material shows its transparency in the entire region of the visible spectrum. The photoluminescence spectrum shows the ultraviolet and blue emission in the crystal. Thermogravimetric and differential thermal analysis reveal the thermal stability of the grown crystal. Etching study shows the grown mechanism and surface features of the crystal. Vickers microhardness studies have carried out on the (01-1) plane to understand the mechanical properties of the grown crystal. The hardness of the title compound increases on increasing the load. The Meyer's index number (n), and the stiffness constants for different loads has calculated and reported.

Synthesis, growth, thermal and optical studies on third order nonlinear optical material (E)-2-{3-[2-(4-chlorophenyl) vinyl]-5,5-dimethylcyclo-hex-2-en-1-ylidene}malononitrile for optoelectronic application.

A new polyene like organic molecule (E)-2-{3-[2-(4-chlorophenyl) vinyl]-5,5-dimethylcyclo-hex-2-en-1-ylidene}malononitrile (Cl1) was synthesized by knoevenagel condensation method. The Cl1 Single crystals were successfully grown by the slow evaporation method at a constant temperature 35°C. Single crystal XRD confirms the Cl1 molecule belongs to monoclinic crystal system and space group P21/C with a=10.114, b=11.127, c=14.929 and V=1668.9 and Z=4. The grown Cl1 crystals were subjected to FTIR and 13C NMR studies to confirm the synthesized compound. The linear optical property of Cl1 crystal has been studied using UV-Vis-NIR spectroscopy in the wavelength range 190 nm-1100 nm. The thermal properties of Cl1 crystal were studied by using TG and DTA analysis. The refractive index of Cl1 crystal has measured using Abbe's refractometer and found to be 1.648. The third order nonlinear optical property of Cl1 crystal has been investigated using Z-scan technique with HeNe laser. Photoluminescence (PL) spectrum of Cl1 crystal was carried out using xenon lamp, which shows high intense emission peak at wavelength 614 nm. Laser optical damage threshold (LDT) of Cl1 crystal has studied using Nd-YAG laser (10 Hz, 420 mJ, 1064 nm).

Optical studies on picoseconds response of optical switching 2-{3-[2-(3-methyl-4-methoxyphenyl)vinyl]-5,5-dimethylcyclo-hex-2-en-1-ylidene}malononitrile organic NLO material.

An organic push-pull chromophores 2-{3-[2-(3-methyl-4-methoxyphenyl)vinyl]-5,5-dimethylcyclo-hex-2-en-1-ylidene}malononitrile(MOT2) was synthesized. The third order nonlinear optical property of MOT2 crystal was studied by using Z-scan technique with He-Ne laser (632.8 nm). The magnitude of nonlinear refractive index (n2), nonlinear absorption (ß) and third order nonlinear susceptibility (χ(3)) have found to be in the range of 10(-14) m(2)/W, 10(-7) m/W and 10(-8) esu respectively. The multiphoton absorption and self defocusing effect were observed in z-scan open and closed aperture methods respectively. The response time of MOT2 crystal has found to be in the order of picoseconds, which is the essential requirement for the fabrication of optical switching. The optical transparency of MOT2 crystal was studied using UV-Vis-NIR spectroscopy and the reflectance, optical band gap (2.159 ev), extinction coefficient, optical conductivity were calculated. The refractive index of MOT2 crystal was measured using Abbe's refractometer and it is found to be 1.661. Photoluminescence study was carried out using Xenon lamp in a wavelength range of 450-700 nm. Laser optical damage threshold of MOT2 crystal was calculated using pulsed Nd-YAG laser of 1064 nm repetition rate of 10 ns.

4-Fluoro-N-[(E)-3,4,5-tri-meth-oxy-benzyl-idene]aniline.

The title compound, C16H16FNO3, exists in a trans configuration with respect to the C=N bond [1.258 (2) Å]. The central meth-oxy O atom deviates from the plane of the attached benzene ring by 0.0911 (14) Å. The dihedral angle between the aromatic rings is 47.58 (11)°. The crystal structure features C-H⋯N and C-H⋯O inter-actions.

Synthesis, crystal growth and spectroscopic investigation of second order organic nonlinear optical single crystal: 2-chloro-N-[4-(dimethylamino)benzylidene]aniline.

Organic nonlinear optical (NLO) crystal 2-chloro-N-[4-(dimethylamino)benzylidene]aniline (2Cl4DBA) was synthesized and grown by restricted slow evaporation technique at room temperature using acetone as solvent with good degree of transparency. The lattice parameters were determined and found to be noncentrosymmetric orthorhombic system by single crystal X-ray diffraction. The crystalline nature of the synthesized material was recorded by the powder X-ray diffraction pattern. Molecular structure of the grown crystal was investigated by (1)H and (13)C NMR and functional groups were identified by FTIR spectrum analysis. The optical absorbance of the grown crystal was ascertained by recording UV-Visible spectrum. Thermal and physiochemical stability of the grown material was investigated by TG/DTA analysis. SHG efficiency was determined by Kurtz-Perry Powder SHG technique and found to be 4.2 and 1.54 times greater that of standard KDP and urea crystals respectively.

N-[4-(Di-methyl-amino)-benzyl-idene]-4-methyl-aniline.

The mol-ecules of the title compound, C16H18N2, exists in a trans conformation with respect to the C=N bond [1.270 (3) Å]. The least-squares plane of the di-methyl-amino group makes a dihedral angle of 1.3 (2)° with the ring to which it is attached. The dihedral angle between the two aromatic rings is 11.70 (2)°. The crystal structure features weak C-H⋯π inter-actions.

(E)-4-[2-(4-Eth-oxy-phen-yl)ethen-yl]-1-methyl-pyridinium naphthalene-2-sulfonate.

In the title salt, C16H18NO(+)·C10H7O3S(-), the substituents attached to the central C=C bond adopt a trans conformation and the benzene and pyridinium rings are nearly coplanar, making a dihedral angle of 6.01 (9)°. The crystal structure features weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions .

Synthesis, growth, structural, spectral, thermal, chemical etching, linear and nonlinear optical and mechanical studies of an organic single crystal 4-chloro 4-nitrostilbene (CONS): a potential NLO material.

4-Chloro 4-nitrostilbene (CONS) a new organic nonlinear optical material has been synthesized. Employing slow evaporation method, good optical quality single crystals (dimensions up to 6×2×3 mm(3)) have been grown using ethyl methyl ketone (EMK) as a solvent. The grown crystals have been subjected to various characterizations such as single crystal X-ray diffraction, powder XRD, Fourier Transform Infrared spectroscopy (FTIR), proton NMR, solid UV absorption, SHG studies. Single crystal X-ray diffraction reveals that the crystal system belongs to monoclinic with noncentrosymmetric space group P21. The UV-Vis absorption spectrum has been recorded and found that the cut off wavelength is 380 nm. Functional groups and the structure of the title compound have been confirmed by FTIR and (1)H NMR spectroscopic analyses respectively. Molecular mass of the CONS confirmed by the high resolution mass spectral analysis .The thermal behavior of the grown crystal has been studied by TG/DTA analysis and it shows the melting point is at 188.66 °C. Dislocations and growth pattern present in the grown crystal revealed by the etching study. The mechanical strength of the CONS crystal has been studied by Vicker's hardness measurement. The SHG efficiency of the grown crystal has been determined by Kurtz and Perry powder test which revealed that the CONS crystal (327 mV) has 15 times greater efficiency than that of KDP (21.7 mV).

Growth, spectroscopic investigation, optical, mechanical, chemical etching and nonlinear optical studies of semi-organic crystal: Bis (thiourea) zinc formate.

Single crystals of Bis (thiourea) zinc formate (BTZF) were grown by slow evaporation method at room temperature. The grown crystal was confirmed by single crystal XRD, (1)H NMR and Mass spectroscopic techniques. Single crystal XRD technique revealed that material crystallized in monoclinic system with cell parameters a=8.693Å, b=7.151Å and c=9.311Å. The presence of hydrogen atoms in the grown sample was confirmed by proton NMR analysis. The mass spectral analysis was carried out to measure the accurate molecular mass of the compound. The recorded UV-Vis-NIR transmittance spectrum show excellent transmission in the range of 200-1100nm. Measuring transmittance of BTZF permitted the calculation of the extinction coefficient K, Reflectance R, as functions of photon energy. The etching study indicates the occurrence of different types of etch pit patterns on the growth surface. The Vickers (Hv) microhardness were carried out in the load range of 10-50g. Optical nonlinearities of BTZF have been investigated by Z-scan technique with He-Ne laser radiation of wavelength 638nm.

Synthesis, nucleation, growth, structural, spectral, thermal, linear and nonlinear optical studies of novel organic NLO crystal: 4-fluoro 4-nitrostilbene (FONS).

A novel organic nonlinear optical material 4-fluoro 4-nitrostilbene (FONS), with molecular formula (C(14)H(10)FNO(2)) has been synthesized. Using ethyl methyl ketone as solvent, the synthesized material has been repeatedly recrystallized to minimize the impurities and good optical quality single crystals were harvested by slow evaporation method. Single crystal X-ray diffraction analysis reveals that the grown FONS crystal belongs to monoclinic system with noncentrosymmetric space group "P2(1)". The powder X-ray diffraction pattern of FONS has been recorded. Functional groups of the title compound were confirmed by FTIR and the molecular structure was confirmed by (1)HNMR. The UV-vis-NIR absorption study reveals no absorption in the visible region and the cut-off wavelength was found to be at 408 nm. Optical band gap (E(g)) of the grown crystal was found to be 3.27 eV and also the optical constants were determined. Thermal behaviour of the FONS has been studied by TGA/DTA analyses. From the mass spectrum, the ratio of compound formation of FONS was analyzed. The NLO property has been confirmed by Kurtz and Perry powder SHG technique and the SHG efficiency of FONS (262 mV) crystal was found to be 12 times greater than that of KDP (21.7 mV).

2-[(E)-2-(4-Meth-oxy-phen-yl)ethen-yl]-1-methyl-pyridinium iodide.

In the title mol-ecular salt, C16H10NO(+)·I(-), the dihedral angle between the pyridinium and benzene rings is 6.61 (8)°. In the crystal, the cation is linked to the anion by a C-H⋯I inter-action arising from the activated aromatic C atom adjacent to the N(+) cation.

An extensive investigation on nucleation, growth parameters, crystalline perfection, spectroscopy, thermal, optical, microhardness, dielectric and SHG studies on potential NLO crystal - ammonium Hydrogen L-tartarte.

Ammonium Hydrogen L-tartarte (AMT), an organic nonlinear optical crystal was grown by slow evaporation method at ambient temperature. Solubility, metastable zone width and induction period of Ammonium Hydrogen L-tartarte in aqueous solution were determined. Good quality crystals were selected and characterized by Single crystal XRD, HR-XRD, FT-IR, (1)H NMR, Mass, TGA-DTA, SEM, EDAX, optical and NLO studies. Single crystal XRD analysis revealed that the crystal system belongs to orthorhombic with cell parameters a=7.65Å, b=7.85Å and c=11.07Å. High-resolution-X-ray diffraction (HR-XRD) analysis was carried out to study the crystalline perfection of the grown crystal. (1)H NMR and FTIR spectrum thus confirmed the presence of functional groups of the grown crystal. Molecular mass of AMT was measured accurately by mass spectroscopic analysis. Surface features of the grown crystal were analyzed by SEM, AFM, chemical etching and the presence of elements in the compound was identified by EDAX analysis. Thermal behavior of the grown crystal has been studied by TG/DTA analysis. The recorded UV-Vis-NIR spectrum shows excellent transmission in the region of 190-1100 nm. The Vickers and Knoop's microhardness studies have been carried out on AMT crystals over a range of 10-50 g. Hardness anisotropy has been observed in accordance with the orientation of the crystal. Fluorescence spectral studies were carried in the range of 280-500 nm for the grown crystal. The SHG conversion efficiency and laser damage threshold were measured using an Nd: YAG laser (1064 nm).