Search results for "diffraction"
showing 10 items of 1584 documents
Crystal and molecular structure of 10-(4′-N-pyridyl)-5,15,20-triphenylporphinato indium(III) chloride
1990
A study of the metallation of meso 10-(4′-N-pyridyl)-5,15,20-triphenylporphyrin with indium is reported. The crystal structure of the title compound has been determined by single-crystal X-ray diffraction. The complex crystallizes in the space group P 2 1 / n with Z = 4 and a = 10.146(2), b = 16.096(4), c = 20.861(2) A, β = 90.33 (1)° and V = 3407 A 3 . The crystal structure was refined to a conventional r (F) = 0.059 for 6355 out of 8613 reflections having δ( I )/I < 0.5. The indium-chlorine distance is 2.374(2) A, whereas the indium atom lies 0.608 and 0.7214 A from the plane of the four porphyrin nitrogens and the 24-atom porphyrin plane, respectively. The four outer-sphere aromatic subs…
In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography
2012
A single crystal of garnet enclosed in a diamond from the Jericho kimberlite (Slave Craton, Canada) has been investigated using X-ray diffraction and X-ray micro-tomography. The novel experimental approach allowed us to determine the crystal structure of the garnet. The unit-cell edge a and fractional atomic coordinates of oxygen were used to determine the composition via an updated Margules model for garnets. The composition is Pyr(0.41(5))Alm(0.36(7))Gro(0.22(1))Uva(0.01(1)), which is indistinguishable from the eclogitic garnets found in other Jericho diamonds. We also demonstrated that residual pressures on the inclusion of up to 1 GPa do not affect significantly the determination of the…
Microscopic evidence of a flat melting curve of tantalum
2010
International audience; New data on the high-pressure melting curve of Ta up to 48GPa are reported. Evidence of melting from changes in sample texture was found in five different experiments using scanning electron microscopy. The obtained melting temperatures are in excellent agreement with earlier measurements using x-ray diffraction or the laser-speckled method but are in contrast with several theoretical calculations. The results are also compared with shock-wave data. These findings are of geophysical relevance because they confirm the validity of earlier experimental techniques that resulted in low melting slopes of the transition metals measured in the diamond-anvil cell, including i…
ChemInform Abstract: Exploring the Properties of MTO4Compounds Using High-Pressure Powder X-Ray Diffraction
2015
Several ternary oxides with industrial applications, but also interesting for basic research, have been studied recently at room temperature under high-pressure conditions using synchrotron powder x-ray diffraction. In this article, part of these experiments will be summarized. The studied materials include zircon-type vanadates and scheelite-type tungstates as well as other oxides related to them. Several pressure-induced structural phase transitions that take place in these compounds under compression will be here described. In addition, the determination of the crystal structure of the high-pressure phases will be discussed. The reported studies have also allowed the accurate determinati…
Electron-Deficient Pyridylimines: Versatile Building Blocks for Functional Metallosupramolecular Chemistry
2017
Metallosupramolecular systems heavily rely on the correct choice of ligands to obtain materials with desired properties. Engaging this problem, we present three ligand systems and six of their mono- and dinuclear complexes, based on the subcomponent self-assembly approach using electron-deficient pyridylcarbaldehyde building blocks. The properties are examined in solution by NMR and UV-vis spectroscopy and CV measurements as well as in solid state by single crystal X-ray diffraction analysis. Ultimately, the choice of ligands allows for fine-tuning of the electronic properties of the metal centers, complex-to-complex transformations, as well as establishing distinct anion-π-interaction moti…
STACKING-FAULTS IN VERY FINE PALLADIUM PARTICLES SUPPORTED ON PUMICE
1990
By means of an X-ray diffraction study, carried out with best-fitting procedures, of the asymmetry and peak maximum shifts of some reflections, stacking-faults in the FCC lattice of very fine palladium particles supported on pumice were detected using the Warren-Wagner-Cohen theoretical approach.
Liquid structure of dibutyl sulfoxide
2016
We present experimental (X-ray diffraction) data on the structure of liquid dibutyl sulfoxide at 320 K and rationalise the data by means of molecular dynamics simulations. Not unexpectedly, DBSO bearing a strong dipolar moiety and two medium length, apolar butyl chains, this compound was characterised by a distinct degree of polar vs. apolar structural differentiation at the nm spatial scale, which was fingerprinted by a low Q peak in its X-ray diffraction pattern. Similar to, but to a larger extent than its shorter chain family members (such as DMSO), DBSO was also characterised by an enhanced dipole-dipole correlation, which was responsible for a moderate Kirkwood correlation factor as we…
Differential scanning calorimetry investigation of phase transition in $BaZr_{x}Ti_{1-x}O_{3}$
2009
ABSTRACT Lead-free BaZrxTi1-xO3 (x = 0; 0.025; 0.125) ceramics have been obtained by a conventional method. A single-phase perovskite structure of the ceramics was identified by the X-ray diffraction method. EDS analysis, performed for the individual grains of the tested sample, showed a good homogeneous distribution of all elements throughout the grains. The thermal behaviour of BaZrxTi1-xO3 (x = 0; 0.025; 0.125) ceramics was studied using the Differential Scanning Calorimetry (DSC). Measurements showed the influence of Zr addition on the character of phase transition in the BaTiO3 structure. The results were compared with these ones obtained for pure BaTiO3.
II–VI and II1−xMnxVI semiconductor nanocrystals formed by the pressure cycle method
2005
II–VI and II1−x Mn x VI nanocrystals were prepared by the pressure cycle method using the Paris–Edinburgh cell. The recovered samples are nanocrystals in the cubic phase zinc-blend (ZB) structure and were characterized using transmission electron microscopy, electron diffraction, X-ray diffraction and Raman scattering. Transmission electron micrographs show that these nanocrystals are nearly spherical with diameters ranging from 20 to 50 nm depending on the sample under investigation. The Raman scattering measurements confirm the existence of II–VI nanocrystals in the cubic phase (ZB). The magnetic properties of Cd0.5Mn0.5Te nanoparticles were found to vary with the particle size and were d…
Structure analysis of titanate nanorods by automated electron diffraction tomography
2011
A hitherto unknown phase of sodium titanate, NaTi3O6(OH)·2H2O, was identified as the intermediate species in the synthesis of TiO2 nanorods. This new phase, prepared as nanorods, was investigated by electron diffraction, X-ray powder diffraction, thermogravimetric analysis and high-resolution transmission electron microscopy. The structure was determined ab initio using electron diffraction data collected by the recently developed automated diffraction tomography technique. NaTi3O6(OH)·2H2O crystallizes in the monoclinic space group C2/m. Corrugated layers of corner- and edge-sharing distorted TiO6 octahedra are intercalated with Na+ and water of crystallization. The nanorods are typically …