Crystal Research

Single crystals of methyl para hydroxyl benzoate a nonlinear optical (NLO) material were grown by slow solvent evaporation technique at room temperature. Acetone was used as solvent. The MPHB crystals obtained by the above technique were subjected to different characterization analysis. Unit cell parameters were evaluated by single crystal X-ray diffraction technique. The lattice dimensions were determined from the powder x-ray diffraction analysis. The functional groups and optical behaviour of the crystals were identified from FTIR and UV-vis analysis. Micro hardness, thermal and etching studies were also carried out on the sample respectively. The SHG efficiency of the grown crystal was measured through NLO studies.

L-Valinium Picrate, Rare earth element Erbium doped L-Valinium Picrate and soft transition element Cobolt doped L-Valinium Picrate were synthesized and grown as single crystals by slow evaporation method. The cell dimensions were obtained by single-crystal X-ray diffraction study. Optical properties, such as UV–visible–NIR absorption and second harmonic generation conversion efficiency were investigated to explore the optical characteristics of the grown crystals. Microhardness, Thermal and dielectric studies of the compound were also carried out. 

The Erbium doped KDP crystals were grown by Sankaranarayanan-Ramasamy (SR) method with the vision to improve the properties of the crystal. The chemical composition of the grown crystals is confirmed by EDAX Analysis. The grown crystal was characterized by PXRD and UV-Vis analysis. The SHG efficiency is determined by Kurtz powder technique. The dielectric constant, dielectric loss and ac conductivity of the crystal were studied. The functional groups are identified by FT-Raman analysis. The Optical transmission and SHG studies shows the suitability of the ingot for optical applications.

Glycine family crystals are very useful materials for electronics and many optical applications. In present work single crystals of pure and ADP-, KDP- (0.2 mol) doped Triglycine sulpho zinc chloride (TGSZC) crystals are grown by solution growth method. Grown crystals are characterized by UV-Vis, IR and Raman spectral studies. From UV –Vis spectra optical quality of all crystals is determined. From IR and Raman spectra characteristic vibrations are identified. Powder XRD study reveals the Crystal structure of grown crystals. Ferroelectric nature of all crystals is tested using homemade Sawyer-Tower circuit. Electrical conductivity measurements are carried out for pure and doped TGSZC crystals.

Abstract This Molecular docking study aimed to identify the binding site of protonated ligand Tetrakis (4-aminopyridine-kN1) dichloridocopper (II) monohydrate with sphingosine 1-phosphate lyase (S1PL) for the treatment of multiple sclerosis. With the aid of MGL Tools – 1.4.6, the molecular docking analysis shows that the oxygen atom of phenolic O-H group of tyrosine TYR526 interacts with the hydrogen atom of NH group of the ligand. Oxygen atom of water molecule present in the ligand interacts with hydrogen atom of NH group present in glutamine GLN476. In-silico docking study of a protein ligand interaction resulted in -6.11 kcal mol-1 and -6 kcal mol-1 free energy values for the GLN476 - ligand and TYR526 – ligand respectively and the corresponding median Inhibition concentration IC50 value found to be 8µg/ml. This molecular docking study show good inhibitory interaction effect for ligand for the treatment of multiple sclerosis. Keywords S1PL, 4-aminopyridine, copper complexes, protein-ligand interaction, tyrosine, glutamine

Single crystals of (2E)-1-(4-bromophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one (4Br4MSP) was grown by slow evaporation solution growth technique at room temperature. The crystal structure of 4Br4MSP was determined using single crystal X-ray diffraction technique and morphology of the crystal was studied. Optical behavior such as UV-vis-NIR absorption spectra and second harmonic generation were investigated to explore the transmission and nonlinear optical (NLO) characteristics of the material. Thermal stability of the sample is confirmed by TGA/DTA analysis. The dielectric and electric properties of the crystal were studied.The laser damage threshold has been measured by using Q-switched Nd:YAG laser and shows good damage threshold value. Crystals were subjected to microhardness study to explore its mechanical characteristic.

Dipotassium sodium tetraborate octahydrate- K2Na[B4O5(OH)4]2 .8H2O (KNB) is an intriguing crystal for laser frequency conversion. It was grown by slow evaporation solution growth technique at ambient temperature. The investigated crystal is crystallized into noncentrosymmetric orthorhombic axial P212121 space group. Fundamental optical phonon modes were identified and the assignments were proposed.The dependence of second order optical susceptibilities with the applied d.c field strength for two principal geometries was studied. Piezooptical coefficients for the diagonal Pxxxx and off-diagonal Pxxzz tensor components under applied dc-field also were measured and discussed. Correlation between the anisotropy of the obtained spectra and of the observed nonlinear optical susceptibilities was established.

A new centrosymmetric semi organic crystal of 2-amino pyridine potassium chloride (2-APKC) was grown by slow evaporation solution growth technique at room temperature for the first time. Powder XRD study reveals the crystalline natures of the grown sample. Single crystal XRD study shows that the grown crystal is cubic systems of a= b= c= 6.19 Å; and ? = ? = ? = 90? with cell volume 237Å3. FTIR spectral study identifies the chemical composition and their corresponding functional groups of the grown crystal 2-APKC. UV–visible NIR spectral study confirms the absorption band in the range 250-800 nm with lower cutoff wave length at 320 nm. Thermal, dielectric and photoconductivity studies of grown crystals were done and discussed. SHG efficiency of the as-grown centrosymmetric crystal is confirmed first time by the Kurtz powder technique.

In this paper, slow evaporation method was used for the synthesis of 4-aminopyridinium adipate in triclinic crystal system and it was characterized by the powder X-ray diffraction pattern. Using the X-ray broadening, the crystallite sizes and lattice strain on the peak broadening were studied by Williamson-Hall plot. The result of mean particle size showed that the particle size increases with the decrease in breadth (in degrees) with mosaic defect. Key words: 4-aminopyridine, adipic acid, Powder X-ray diffraction pattern, Williamson-Hall plot

The inorganic compounds often consist of relatively small number of broad bands compared with the spectra of organic compounds. The metal halogen absorption band is dependent on the strength of the bond, the mass of the metal atom and the valence state of the metal atom . A number of crystalline ammonium compounds undergo characteristic phase transitions, resulting in dramatic changes in a variety of physical properties as their temperature is changed. In the report on Mn doping on barium tartrate identifies few extra peaks and the intensity of the prominent peak is found to be decreased . In this paper we report the thermal,mechanical, structural properties and surface morphology of manganese chloride diammonium hydrogen phosphate mixed crystal .