Search results for "diffraction"

Structural characterization of carane derivative stereoisomers - Potent local anesthetics

2002

The paper reports on structural investigation and phase analysis of a newly synthesized potent local anesthetic with chiral molecular structure. Absolute structure and absolute configuration on four chiral centres was determined using microcrystalline single-crystal difracti on with anomalous scattering of X-ray radiation azimuthal scan technique. Phase analysis for new compound (K P23SS) and its epimer (K P23 RS) was carried out using classical and synchrotron radiation powder difraction. Enantiopurity of the bulk material was verifed for both isomers by comparison of experimental and simulated high- resolution powder difraction diagrams. The presence of two new polymorphic phases of K P23…

Long Periods in Drawn Polyethylene

1962

Meridional reflections appearing in small-angle X-ray diffraction diagrams of drawn polyethylene are caused by a nearly periodic arrangement of crystalline and disordered regions. The long period, which is determined by the average distance between two consecutive crystallites, depends on the method of preparing the sample. The time and temperature dependences of the positions of the small-angle reflections have been investigated. The growth of the long period of unoriented bulk polyethlene and polyethylene single crystal follows the same time dependence as that of stretched films. However, characteristic differences were obseved in the relationship between density and long period; they are…

Theoretical and structural studies of lithium cyclic amide conformations. Monomers and aggregates

2000

High level ab initio calculations on the conformations of unsolvated and solvated lithium piperidide, 1, and lithium morpholide, 2, were carried out. It was found that both monomers exhibit a global minimum for a chair structure with a planar nitrogen, and 2 shows an additional stable pseudo boat conformation. Dimers and amine–lithium amide mixed aggregates were also calculated including discrete solvation; the role of aggregation is clearly shown both by the changes in geometries and in the stabilization energies. Semiempirical calculations carried out on a recently synthesized tetrameric mixed aggregate give a geometry very similar to the structure determined by X-ray diffraction. The pre…

Morphology and structures in double-, triple- and quadruple-chain phospholipid monolayers at the air/water interface

2007

The structure of double-, triple- and quadruple-chain phospholipid monolayers has been studied by Synchrotron x-ray diffraction. The double-chain mixed- linkage species exhibit an oblique structure at all pressures investigated. The triple-chain phospholipids show at lower lateral pressures a rectangular unit cell with a phase transition at higher pressures to a hexagonal packing of vertically arranged chains. The quadruple- chain lipid exhibits only the hexagonal phase structure. The position of the ether linkage and of the branched chain on the glycerol backbone has also a strong influence on the monolayer structures. Fluorescence microscopy shows different domain shapes for the different…

X-ray powder diffraction pattern for lactitol and lactitol monohydrate

1994

Diffraction patterns were recorded, and unit cell dimensions refined by the least-squares method, for lactitol and lactitol monohydrate. Refined unit cell parameters for lactitol are: a =7.622(1) Å, b = 10.764(2) Å, c = 9.375(1) Å, β= 108.25(1)° in space group P21, and those for lactitol monohydrate a =7.844(1) Å, b = 12.673(2) Å, c = 15.942(2) Å in space group P212121.

The Phases of Phosphatidyl Ethanolamine Monolayers

1992

For the first time phospholipid monolayers at the air/water interface have been studied by X-ray diffraction and reflection along the whole isotherm from the isotropic fluid to the ordered phases [1]. The model used to analyze the data — and the accuracy of the parameters deduced — were tested by comparing the results obtained with two lipids having the same head group but different chain lengths.

Stability of non-stoichiometric laof phases: x-ray diffraction investigation

1998

Summary The X-ray diffraction patterns of the polycrystalline LaO 1−x F 1+2x (0.05≤x≤0.3) phases were measured at room temperature and analyzed by the Rietveld profile refinement method. All compounds crystallize in the tetragonal PbFCl-type structure with P4/nmm as the space group. No distortion to lower orthorhombic symmetry was observed. The tetragonal lattice parameters a and c increase with increasing excess of fluoride. The La-oxygen (La-fluorine) distances first decrease (increase) but then these trends are reversed. The Global Instability Index calculated from the bond valence model increases towards the higher fluoride content of the compounds indicating decreasing stability

1975

The density of crystals of poly(ethylene terephthalate), (PETP), Qc is checked by X-ray diffraction assuming a triclinic unit cell and the indices of reflections as found by Bunn. The following unit cell dimensions are found: a = 4,48A, b = 5,85A, c = 10,75 A, α = 99,5°, β = 118,4°, and γ = 111,2°. This gives the density Qc as 1,515g/cm3 which is about 4% higher than that reported by Bunn. Negligible differences in spacings for samples annealed at different temperatures (120°C–260°C) have been found. Only for an annealing temperature of 100°C the higher d-values lead to Qc = 1,484g/cm3. For undrawn PETP films annealed at 250°C the same value of Qc as for drawn PETP was obtained on the basis…

Mechanisms of Solid Phase Interaction at Synthesis of the Mixture for Ferroelectric Lithium Niobate

2011

Results of a complex differential thermal analyses (DTA, TGA), X-ray diffraction analyses, infrared and mass-spectrometry study of solid-state interactions in the Li2CO3- Nb2O5 system are reported.

Structural, microstructural and impedance spectroscopy study of functional ferroelectric ceramic materials based on barium titanate

2013

The differences between the physical properties of barium titanate BaTiO3 and newly obtained BaHfxTi1-xO3 were identified. These ceramics were prepared by solid-phase reaction from simple oxides and carbonates using the conventional method. The structure and morphology of investigated samples were characterised by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The application of impedance spectroscopy made possible to characterize of these materials in the terms of electrical properties.