Volume 8, No. 2.0Scholar : National School of Leadership

For the present work we employ Chemical Bath deposition Technique. Initially the bathtubparameters like temperature, pH of the precursors, polarity of the solutions, deposition timewas optimized for synthesis of CDS thin films. Using above optimized parameters, weprepare CDS thin films for the study of effect of Zn concentration on various properties of thefilms. The structural, Morphological, and optical characterization were investigated. TheXRD spectra of the CDS films exhibit the hexagonal crystal structure

Single crystals of Ammonium chloride doped with Urea an organic material: have been grown by slowevaporation technique at room temperature.The crystalline nature of grown crystal was confirmed by microhardness Analysis. The functional group of the grown crystals was found by FTIR analysis. The spectral bandshave been compared with similar thiourea complexes using the FTIR spectrum in the range 400-4000 cm-1. TheUV- Vis study was performed to know the optical behavior of the grown crystals.

Single crystals of glycine doped potassium dihydrogen orthophosphate (KDP)were grown by Sankaranarayanan-Ramasamy (SR) method with have a size of 20 mmin diameter and 90 mm long . The grown crystals were subjected to powder X-raydiffraction (XRD), differential scanning calorimeter (DSC), thermo-gravimetricanalysis (TGA), optical transmission, dielectric and Vickers microhardness studies.The TGA of the samples reveal that the grown crystals were stable up to 200 ÛC aminimum of for all samples. The important optical parameters like reflection andextinction coefficients of the grown crystal were calculated and discussed. Thevariation of dielectric constant, dielectric loss, a.c. resistivity and a.c. conductivitywith frequency of applied field within the range from 1 kHz to 200 kHz was studied.The lower values of dielectric loss because of less of defect were observed in SRgrown glycine doped KDP crystals. Vickers microhardness study shows highermechanical stability in SR method grown crystal

Nanotechnology refers to the creation and utilization of materials whose constituents existat the nanoscale; and, by convention, be up to 100 nm in size. Nanotechnology exploreselectrical, optical, and magnetic activity as well as structural behavior at the molecular andsubmolecular level. The absorption band at 567 cm-1 was assigned to Co-O stretching vibrationmode and 661 cm-1 was assigned to the bridging vibration of O-Co-O bond denotes theCo2+Co3+O3 bonding vibrations as in type ABO3 (where A denotes the Co2+ in the tetrahedral site)of the crystal lattice structure. The small broad band at 3440 cm-1 is due to O-H stretchingvibration modes. The less intense band at 1635 cm-1is assigned to the bending mode of watermolecule vibration. Increasing the calcination temperature reduces the intensity of the 3440 cm-1,which may be due to the reduction in water content of the samples.

The structure of nonlinear optical crystal benzimidazole is confirmed by powderX-ray diffraction method. The optimization of the structure has been done by densityfunctional theory (DFT) with B3LYP level and 6-311G++(d,p) basis set. The fundamentalvibrational frequencies of benzimidazole (BZE) are calculated using density functionaltheory (DFT) methods at different levels of calculation. The HOMO-LUMO energies havebeen investigated which proposes that the probability of charge transfer to take placeinside the molecule. Mulliken population study on atomic charges was also calculated.

Poly crystals of pure thiourea an organic material: have been grown by slowevaporation technique at room temperature .The crystalline nature of grown crystalwas confirmed by functional group of the grown crystals was found by FTIR analysis.The spectral bands have been compared with similar thiourea complexes using FTIRspectrum in the range 1000- 3500 cm-1 .The UV- Vis study was performed to knowoptical behaviour of the grown crystals.

In recent science , Nano technology is a burning field for the researchers. These particles canbe prepared easily by different chemical ,physical, and biological approaches. The Greensynthesis was done by using aqueous solution of Azadirachta indicia leaf extract andAgNo3.Silver was of a particular interest for this process due to its evocative physical andchemical properties. The Nano particles were characterized by UV –Visspectrophotometer,FTIR, DLS,ZetaAnalysis,XRD, and SEM.Thenano particles were foundhave the size ranges from 160-180 nm.

Single crystals of pure L-Histidine Di Picrate (LHDP) have been grown by slowevaporation technique at room temperature. The crystalline nature of grown crystal wasestablished by powder X-ray diffraction analysis (XRD). The structure of the grown crystaldetermined by X-ray diffraction analysis reveals that it belongs to the monoclinic system. Thefunctional group of the mature crystals was found by FTIR analysis. The spectral bands havebeen compared with similar complexes using the FTIR spectrum in the range 400-4000 cm-1.The UV-Vis study was performed to know the optical behavior of the grown crystals. Theoptical transmittance of the spectrum of solid material was measured in the range of 190 to 800nm. The crystal shows a good transmittance in the visible region. The transmittance above 74%is observed from 354 to 800 nm, which clearly shows the crystal possesses good opticaltransparency for the second harmonic generation.

Low temperature resolution growth (LTSG) is one in every of the foremosteconomical and simplest processes which might be used for crystal growth fromsolutions. the convenience in handling and also the readiness in its miscibility with thesolvents create it a sexy technique for crystal growth. Most of the chosen solutes arecompatible with water and a few ar2 with alcohol and ethers. Benzophenone aphotoinitiator employed in the UV-curing applications in inks, adhesive and coatings,optical fibers and in computer circuit boards. Benzophenone or di-phenyl organiccompound (CAS No. 119-61-9) with formula (C6H5)2CO is compatible with alcoholin best proportions. the answer is heated for supersaturation well below its boilingpurpose. The saturated resolution is then takenin an exceedingly beaker and unbrokenfor crystallization. traditional nucleation followed by crystallization happens byevaporation technique at temperature. A provision for speedy evaporation by a streamof uniform hot air flow across the expansion chamber enhances the crystallization ratethereby reducing the time needed for the expansion of crystals. This acceleration ofcrystal growth is a crucial necessity for the mass crystallization and industrial crystalgrowth. The crystals are analysed for his or her surface, structural and spectroscopicalcharacteristics.

Co3O4 nanoparticles are used as p-type semiconductor. The Photoluminescence sharp peaksshows a near and edge emission located at UV region and green emissions. It is noted from thespectra that the intensity of UV emission is dominated than the visible emission related that thesurface morphology.

The optimized structure of 4-Chloro-Benzophenone (4CBZPE) has been doneby density functional theory (DFT) with B3LYP level and 6-311G++ (d,p) basis set. Thefundamental vibrational frequencies of 4CBZPE are calculated using density functionaltheory (DFT) methods at different levels of calculation. The HOMO-LUMO energies havebeen investigated which proposes that the probability of charge transfer to take placeinside the molecule. Mulliken population study on atomic charges was also calculated.

Poly crystals of pure thiourea an organic material: have been grown by slowevaporation technique at room temperature .The crystalline nature of grown crystalwas confirmed by functional group of the grown crystals was found by FTIR analysis.The spectral bands have been compared with similar thiourea complexes using FTIRspectrum in the range 1000- 3500 cm-1 .The UV- Vis study was performed to knowoptical behaviour of the grown crystals.

Good quality of semi organic single crystals of a urea cupric sulphate ( UCS)was grow from solution by s low evaporation technique at room temperature. Goodoptical quality s ingle crystals with dimensions 15 × 11 × 3 mm 3 were obtained.The grown crystal had been confirmed by single X- Ray Diffraction Method. UV -Vis absorption,s tudies reveals that the grown crystal was optically transparentthrough the visible range. The vibrational frequencies of various functionalgroups in the crystals had been derived from Fourier transform infrared spectrum.Dielectric studies have been made. Dielectric studies give information about thecharge transport mechanism of a material. The optical absorption studies indicatethat for the sample, optical transparency window w is quite wide, making it tsuitable for NLO applications

Single crystals of pure L- Arginine acetate been grown by slow evaporation technique at roomtemperature. The crystalline nature of grown crystal was long-established by powder X-raydiffraction analysis (XRD). The structure of the grown crystal determined by X-ray diffractionanalysis reveals that it belongs to the monoclinic system. The purposeful group of the growncrystals was established by FTIR analysis. The UV-Vis study was performed to know the opticalbehavior of the grown crystals. The optical transmittance of the spectrum of solid material wasmeasured in the range of 190 to 800 nm. The crystal shows a high-quality transmittance in thevisible region. The transmittance above 74% is observed from 354 to 800 nm, which clearlyshows the crystal possesses good optical transparency for the second harmonic generation.

MgSnS Mg dopped SnS thin film are prepared by chemical both deposition tofind out the thickness of UV and XRD analysis carry out. The thickness of the filmfound to be that 476nm. The plot of extinction αhν*αhν against the photon is asshown in figure.3. From the figure that there is gradually decreases in extinction coefficient with the increasing in the photon energy. Thus the XRD analysis of MgSnSfilm is shown figure.4. The XRD analysis reveals that the MgSnS thin film hashexagonal crystalline structure.

Single crystal of pottassium penta borate tetra hydrate an organic material: have been grown byslow evaporation technique at room temperature .The crystalline nature of grown crystal wasconfirmed by power x ray diffraction analysis (XRD). The structure of LKS consists of Li+ andlying on threefold axes and K+ ion has a tetrahedral coordination with Li-O distances 1.909 -1.923 Ǻ. The UV- Vis study was performed to know optical behaviour of the grown crystals.

The optimized structure of 2 Amino 3 Bromo Pyridin (2A3BP) has been done bydensity functional theory (DFT) with B3LYP level and 6-311G++ (d,p) basis set. Thefundamental vibrational frequencies of 2 Amino 3 Bromo Pyridin are calculated usingdensity functional theory (DFT) methods at different levels of calculation. The HOMOLUMOenergies have been investigated which proposes that the probability of chargetransfer to take place inside the molecule. Mulliken population study on atomic chargeswas also calculated.

Poly crystals of pure thiourea doped with L-valine an organic material: have beengrown by slow evaporation technique at room temperature .The crystalline nature of growncrystal was confirmed by power x ray diffraction analysis (XRD).The functional group of thegrown crystals was found by FTIR analysis. The spectral bands have been compared withsimilar thiourea complexes using FTIR spectrum in the range 1000- 3500 cm-1 .The UV- Visstudy was performed to know optical behaviour of the grown crystals.

The polarized IR and Raman spectra of Dithiooxamide as a single crystal on solutionand as a KBr pellet are powder and the inelastic incoherent neutron scattering spectra of thepowder were measured and compared with the corresponding napthlene spectra. The previousassignment of fundamental vibration was confirmed. The medium dependent relative Intensitiesand frequencies of the vibrational bands are interpreted in terms of the competition between anintermolecular change transfer interacting (vibrating coupling) and hydrogen bonding.

Metal oxide nanoparticle applications in energy storage devicewhich receive attention for the future energy requirement. These transition metaloxides, when falling in the nanosized that process more applications in the field suchas data storage, spintronics, biomedicine and telecommunication. Mn-ZnOnanoparticles were synthesized by Co Precipitation method. The oxalic acid solutiondrop wise added to the metal salt solution with continuous stirring to get light pinkprecipitate dried at 1000C . The synthesized powder was calcined at varioustemperatures. Such as 2000C, 3000C, 4000C to obtain block color Mn-ZnOnanoparticles. These particles thus prepared were characterized by FTIR, UV-Visible.The optical band gap of Mn-ZnO nanoparticle was estimated by UV-VisibleSpectroscopy .The direct band gap values were found to be 2.1eV, 2.5eV, and 3eV.

Copper thin films are provide through chemical bath deposition method (CBD). Forthis study iron pyrite thin films were prepared by using the chemical bath deposition methodin aqueous solution. Deposition time constant at 60 minutes and pH of the solution at 2.0.Substrate is the surface is used to deposit thin film. The CDS (CU) thin film is deposited onthe glass substrate by using chemical both deposition method at 800c in three hours. With thehelp of XRD analysis CDS (cu) thin film has hexagonal crystalline structure.

Cobalt (II, III) oxide is an inorganic compound with the formula Co3O4. It is a blackantiferromagnetic solid. As a mixed valence compound, its formula is sometimes written asCoIICo2 III O4 and sometimes as CoO.Co2O3. The XRD result confirmed the formation of simplecubic crystal structure of the Co3O4. The average crystallite size of the samples are found toincrease with increase in annealing temperature. The optical energy band gap values estimatedby UV-visible analysisreported that the energy band gap values are increased with increase incalcination temperature. So that Co3O4 nanoparticles are used as p-type semiconductor. ThePhotoluminescence sharp peaks shows a near and edge emission located at UV region and greenemissions.

Copper and ZnS doped zinc sulphide thin films are equipped through chemicalbath deposition method (CBD). To find out the UV, XRD analyses are carry out.The linear nature of absorption indicates that ZnS (CU) is a direct band gapsubstance with the band gap energy equal to 0.3eV. The XRD image of the ZnS(CU) thin film gibes the in progression about the crystalline configuration preparedthin film. It confirms that the film has hexagonal crystalline structure.

The (DFNB) 1, 2 Dichloro-4-fluoro-5- Nitrobenzene structured to density functional theorystudies using B3LYP/6-31+G (d,p) method. Characterization was done by FT-IR ,FT Raman andNMR spectroscopy techniques. Molecular electrostatic potential study was also determined.

The vibrational frequencies and corresponding normal modeassignments of diethanolamine have been calculated using ab initio densityfunctional theory (B3LYP) method with 6-311++G(d,p) basis set level on theground state. Structural and spectroscopic investigations of diethanolaminewere reported. Infrared wavenumbers, infrared intensities were predicted.Calculated infrared wavenumbers and intensities were compared with FT-IRspectra of diethanolamine, supporting for a general assignment of therecorded spectra. The used scale factors which have been obtained the ratioof the frequency values of the strongest peaks in the calculated andexperimental spectra seem to cause the gained vibrations wellcorresponding to the experimental ones. Infrared wavenumbers and theirintensities of diethanolamine have been determined. There is an excellentagreement between experimental and theoretical infrared wavenumbers in theregion of (4000-400 cm-1). In order to compare of this agreement,. Thecorrelation value of diethanolamine and triethanolamine are found to be0.9912, 0.9988, respectively for B3LYP method with the 6- 311++G(d,p)basis set.

The ZnOnano powders were synthesized using surfacing assisted complex sol— gel method. Zinc nitrate of 0.03 m was dissolved in 50 ml DE ionized water andwas dripped into the citric acid and poly ethylene glycol. With the help of XRDanalyses it conforms ZnO have poly crystalline nature. EDX analysis reveals there areno other impurities present in sample. FTIR spectrum was done and the formation ofpure ZnOnano particles was visualized. The transparent solution is stirredcontinuously 4 hours at 353k.

Surface tension trends involving temperature, pressure, and temperature with pressure were explainedin the terms of the components of the surface tension. In particular, the reduction of surface tension withincreasing temperature was consistent with a reduction of segregation between the molecular constituents;The average of the surface tension values is taken as the equilibrium surface tension when thechange in surface tension is less than 0.0001mJ m-2s-1

Low temperature solution growth (LTSG) in one of the most efficient andsimplest processes. This can be employed for crystal growth from solutions. The casein handling and the readiness in its miscibility with the solvents it attractive techniquefor crystal growth. Crystal growth evaporation method is a simplest method used forthe preparation of crystal to study their structure. The crystals have been analysis FT -IR and Vickers micro hardness test analysis. Sodium chloride doped Glysine weregrow by slow evaporation method.

The field of nanotechnology is the most active area of research in modern materialsscience. Though there are many chemical as well as physical methods, green synthesis ofnanomaterials is the most emerging method of synthesis. We report the synthesis ofantibacterial silver nanoparticles (AgNPs) using leaf broth of medicinal herb, Ocimumsanctum (Thulasi). The synthesized AgNPs have been characterized by UV-Vis spectroscopy,transmission electron microscopy (TEM), and X-ray diffractometry. The mean particle ofsynthesized NPs was found to be 18 nm, as confirmed by TEM. The qualitative assessment ofreducing potential of leaf extract has also been carried out which indicated presence ofsignificant amount of reducing entities. FTIR analysis revealed that the AgNPs werestabilized by eugenols, terpenes, and other aromatic compounds present in the extract.

Single crystal of alanine potassium chloride (APC), a semi organic nonlinear optical material hasbeen grown from solution by slow evaporation at ambient temperature. The isoelectric point ofL-alanine is 6(1). So, the growth of crystals has been carried out at pH 6. The chemicalcomposition of the grown crystals was determined by the FTIR spectra. The crystalline natureand its various planes of reflections were observed by the powder XRD. The structure is builtfrom alternate layers of alanine organic molecules and inorganic layers consisting of K+ ions andCl- ions. The Hardness of the crystals was studied by Vickers micro hardness tester. Surfacemorphology was studied by SEM analysis. Using Nd-YAG laser the NLO property of the crystalis studied.The transmittance and absorption of the crystal was studied by UV-Visiblespectrometer.