The semi-organic single crystal of potassium 3,5-dinitrobenzoate (KDNB) was successfully grown by slow evaporation solution technique (SEST) at room temperature. The lattice parameters of the grown KDNB crystal were confirmed by single crystal X-ray diffraction. The functional groups of the KDNB crystal were confirmed by Fourier transform infrared (FTIR) spectroscopy analysis. The optical quality of the grown crystal was identified by UV-Vis NIR spectral analysis. The grown crystal has good optical transparency in the range of 410–1100 nm. In the photoluminescence spectrum, sharp broad emission peaks were observed, which indicate violet and blue emission. The photoconductivity study reveals that the grown crystal has a negative photoconductive nature. The thermal behaviour of the crystal has been investigated by thermogravimetric and differential thermal analysis (TG-DTA). Vickers microhardness analysis was carried out to identify the mechanical stability of the grown crystal and the indentation size effect (ISE) was explained satisfactorily by Hays–Kendall's approach and proportional specimen resistance model [PSRM]. A chemical etching study was carried out and the etch pit density (EPD) was calculated. Laser damage threshold (LDT) energy has been measured by using a Nd:YAG laser (1064 nm). The dielectric permittivity and dielectric loss as a function of frequency were measured for the grown crystal. The solid state properties such as plasma energy, Penn gap and Fermi energy were evaluated for the KDNB crystal using the empirical relation. These estimated values were utilized to report the electronic polarizability. This matches well to the value calculated from Clausius–Mossotti relation, Lorentz–Lorentz equation, optical band gap energy and coupled dipole method (CDM). The third-order nonlinear optical properties such as refractive index (n2), absorption co-efficient (β) and susceptibility (χ(3)) were studied using Z-scan technique at 632.8 nm of He–Ne laser.

Growth and characterization of semi-organic third order nonlinear optical (NLO) potassium 3,5-dinitrobenzoate (KDNB) single crystals

Reaction of La2(OAr)6 (1, Ar = 2,6-i-Pr2C6H3) with 2 equiv of LiOAr in THF produces the lanthanum tetrakis(aryloxide) salt (THF)La(OAr)2(μ-OAr)2Li(THF) (2). A similar reaction employing NaOAr leads...

Alkali Metal Induced Structural Changes in Complexes Containing Anionic Lanthanum Aryloxide Moieties. X-ray Crystal Structures of (THF)La(OAr)2(μ-OAr)2Li(THF), (THF)La(OAr)2(μ-OAr)2Na(THF)2, and CsLa(OAr)4 (Ar = 2,6-i-Pr2C6H3)

Synthesis and structure of alkali metal `ate' complexes in the yttrium/2,6-dimethylphenoxide system

Charge-Localizing Effect in Alkali-Metal Enolates and Phenolates. Structure and Aromaticity of the Phenolate Anion

Reaction of 2,6-diphenylphenol (HOC6H3Ph2-2,6) with nBuLi, NaH, KH, or Rb or Cs metal in benzene gives the solvent-free complexes [M(OAr)]x in excellent yield. The complex [Rb(OC6H3Ph2-2,6)]x exhibits a ladderlike structure in the solid state with triply bridging oxygen atoms and Rb−O distances of 2.743(3), 2.930(2), and 2.973(2) A. The Rb cations interact with the π-electron cloud of the arene moieties, giving rise to a high Rb coordination number. The cesium-containing congener forms a layered, columnlike structure consisting of [Cs2(μ2-OAr)2] units, with nearly identical Cs−O distances of 2.945(2) and 2.947(2) A. The individual layers are held together solely by Cs−arene π-interactions.

Synthesis of group 1 metal 2,6-diphenylphenoxide complexes [M(OC6H3Ph2-2,6)] (M = Li, Na, K, Rb, Cs) and structures of the solvent-free complexes [Rb(OC6H3Ph2-2,6)]x and [Cs(OC6H3Ph2-2,6)x: one-dimensional extended arrays of metal aryloxides.

The title compound C16H10N5O7Li is triclinic, witha=1451(1),b=690(2),c=910(1) A,α=1015(1),β=671(2), γ=1056°(1),Z=2 and space groupP¯1 Data were measured by photographic methods The structure was solved by direct methods, and refined by full matrix least-squares The refinement, based on 1337 reflections, gave the rather highR value of 011 because of poor quality data The complex is dimeric The coordination around the cation is distorted square-pyramidal Two coordination sites are occupied by the nitrogen atoms of the bipyridyl ligand, two by the phenolic oxygen and oxygen ofo-nitro group, and the fifth coordination site is occupied by the phenolic oxygen belonging to the symmetry-related molecule (1−x,−y,1−z) Both oxygens act as bridges to form the dimer The bridging is unsymmetrical, with Li-O (phenolic)=184(2) A and Li1-O (phenolic)=216(2) A (whereI=1−x,−y, 1−Z)

Structure of lithium (picrate) (2,2-bipyridyl)

C 21 H 11 N 6 NaO 18 cristallise dans I2/a avec a=13,516; b=10,141, c=18,693 A, β=90,25 o , Z=4; affinement jusqu'a R=0,042. Le reseau cristallin comporte de cations Na + , des anions de 3,5-dinitrobenzoate et de molecules de 3,5-dinitrobenzoique acide en rapport 1: 1: 2. Le cation Na + a un environnement octaedrique deforme avec trois interactions Na...O de 2,307, 2,321 et 2,392 A

Crystal and molecular structure of sodium dihydrogen tri(3,5-dinitrobenzoate)

Structure of lithium(3,5-dinitrobenzoate) (1,10-phenanthroline)monohydrate

The title compound C18H18N2O2S is monoclinic with unit-cell dimensionsa=8.849(10),b=9.185(11),c=20.257(9) A,β=109.28(10)°. The space group isP21/c, withZ=4. Data were measured by photographic methods. The structure was solved by direct methods. A full-matrix least-squares refinement converged toR=0.10. All atoms except sulfur were assigned individual isotropic thermal parameters. The conformation of the thiadiazepine ring system is distorted boat shaped, as indicated by torsion angle studies.

Structure of 3,6-di(p-methoxyphenyl)-2,7-dihydro- 1,4,5-thiadiazepine

Partial molal volumes (V2~ at infinite dilution of glycine, DL-alanine, 13-alanine, DL-a-amino-n-butyric acid, L-valine, L-leucine, Lisoleucine, L-phcnylalanine, L-serine, L-threonine, L-proline and L-glutamic acid have been determined by density measurements using pycnometer at 298.15, 308.15 and 318.15 K. These data in conjunction with the reported values at other temperatures have been utilized to estimate the precise partial molal expansibilities (av9/dnp at infinite dilution and the values of (a2V¥!cJT2)P hy different procedures. These parameters have been used to predict the structural hydration effects, i.e. the structure-making and structurebreaking effecl~ of solutes in solutions. The precise values of (avlf<lnp have been used to convert the partial molal adiabatic compressibilities of the studied solutes to partial molal isothermal compressibilities at infinite dilution which is an ideal parameter for interpreting the results.

Parveen Kapoor

Papers

Structure of lithium (picrate) (2,2-bipyridyl)

Crystal and molecular structure of sodium dihydrogen tri(3,5-dinitrobenzoate)

Structure of lithium(3,5-dinitrobenzoate) (1,10-phenanthroline)monohydrate

Structure of 3,6-di(p-methoxyphenyl)-2,7-dihydro- 1,4,5-thiadiazepine

Partial molal volumes and expansibilities of some amino acids in aqueous solutions