Search results for "single-crystal"
showing 10 items of 29 documents
cis-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate
2012
In the title compound, [PdCl2(C15H11NO3)2]·CHCl3, the PdII atom adopts a slightly distorted square-planar coordination geometry composed of two Cl atoms in cis positions and two C atoms from isocyanophenyl ligands. The molecular conformation is stabilized by π–π stacking interactions [shortest centroid–centroid distance = 3.600 (1) Å] between substituted benzene rings of different ligands. The crystal packing is characterized by C—H...O and C—H...Cl interactions involving the chloroform solvent molecules.
Synthesis and characterization of 4,6-O-butylidene-N-(2-hydroxybenzylidene)-beta-D-glucopyranosylamine: crystal structures of 4,6-O-butylidene-alpha-…
2002
4,6-O-Butylidene-N-(2-hydroxybenzylidene)-β-D-glucopyranosylamine was synthesized and characterized using analytical, spectral and single-crystal X-ray diffraction methods. 1H and 13C NMR studies showed the presence of the β-anomer, which has also been confirmed by the crystal structure. The molecular structure of this compound showed the presence of the tridentate ONO ligation-core. Both precursors, 4,6-O-butylidene-α-D-glucopyranose and 4,6-O-butylidene-β-D-glucopyranosylamine were characterized using single crystal X-ray diffraction. The α-anomeric nature of the former and β-anomeric nature of the latter were proposed based on 1H NMR studies and were confirmed by determining the crystal …
Displacement Defect Formation in Complex Oxide Crystals under Irradiation
2000
The work is devoted to an analysis of formation processes of the radiation displacement defects (RDDs) and colour centres (CCs) in complex oxide crystals under irradiation. The calculation results on: the displacement process simulation as well as an analysis of the RDD and CC accumulation kinetics are presented. New experimental results on additional absorption spectra induced by neutron irradiation of LiNbO(3) (LNO) crystals doped with Fe and Cr and YAlO(3) (YAP) crystals doped with Nd and Er as well are presented. Dose dependencies of the additional absorption are compared and their peculiarities are discussed. The obtained results confirm that CCs causing the irradiation induced absorpt…
Investigation of the Electromagnetic Radiation Emitted by Sub-GeV Electrons in a Bent Crystal.
2015
The radiation emitted by 855 MeV electrons via planar channeling and volume reflection in a $30.5\text{\ensuremath{-}}\ensuremath{\mu}\mathrm{m}$-thick bent Si crystal has been investigated at the MAMI (Mainzer Mikrotron) accelerator. The spectral intensity was much more intense than for an equivalent amorphous material, and peaked in the MeV range in the case of channeling radiation. Differently from a straight crystal, also for an incidence angle larger than the Lindhard angle, the spectral intensity remains nearly as high as for channeling. This is due to volume reflection, for which the intensity remains high at a large incidence angle over the whole angular acceptance, which is equal t…
(S)-2-[(2-Hydroxybenzyl)azaniumyl]-4-(methylsulfanyl)butanoate
2011
The zwitterionic title compound, C12H17NO3S, is a reduced Schiff base derived from (S)-N-(2-hydroxybenzylidene)methionine. An intramolecular interaction between the N—H and carboxylate groups forms a roughly planar (r.m.s. deviation = 0.1405 Å) five-membered ring containing the H(N), N, Cα, C(carboxylate) and O atoms in a pentagonal conformation. In the crystal, a supramolecular triangle-shaped motif is generated by molecules held together by O—H...O and N—H...O hydrogen bonds.
Automated electron diffraction tomography – development and applications
2019
Electron diffraction tomography, a potential method for structure analysis of nanocrystals, and, in more detail, the strategies to use automated diffraction tomography (ADT) technique are described. Examples of ADT application are discussed according to the material class.
Microwave surface resistance of pristine and neutron-irradiated MgB2 samples in magnetic field
2008
We report on the microwave surface resistance of two polycrystalline Mg11B2 samples; one consists of pristine material, the other has been irradiated at very high neutron fluence. It has already been reported that in the strongly irradiated sample the two gaps merge into a single value. The mw surface resistance has been measured in the linear regime as a function of the temperature and the DC magnetic field, at increasing and decreasing fields. The results obtained in the strongly irradiated sample are quite well justified in the framework of a generalized Coffey and Clem model, in which we take into account the field distribution inside the sample due to the critical state. The results ob…
1,4-Dimethyl-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5(4H)-one
2008
The title compound, C18H15N3O, is the product of the thermal decomposition of the diazonium salt derived from 2-amino-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide. It is characterized by a trans orientation of the methyl groups with respect to the tricyclic ring system. The molecule has a nearly planar phenylpyrazolo[3,4-c]isoquinolin-5-one system, the largest deviation from the mean plane being 0.066 (2) angstrom for the O atom. The dihedral angle between the phenyl substituent and the heterotricycle is 67 (1)degrees. The packing is stabilized by C-H center dot center dot center dot N hydrogen-bond interactions, with the formation of molecular chains along the c axis.
Natural optical anisotropy of h-BN: Highest giant birefringence in a bulk crystal through the mid-infrared to ultraviolet range
2018
The giant birefringence of layered h-BN was demonstrated by analyzing the interference patterns in reflectance and transmittance measurements in the mid-infrared to the deep ultraviolet energy range. The refractive index for polarization perpendicular to the c axis is much higher than the refractive index for polarization parallel to the c axis, and it displays a strong increase in the ultraviolet range that is attributed to the huge excitonic effects arising from the unique electronic structure of h-BN. Thus, h-BN is shown to exhibit a giant negative birefringence that ranges from -0.7 in the visible to -2 in the deep ultraviolet close to the band gap. The electronic dielectric constants f…
Switch in Relative Stability between cis and trans 2-Butene on Pt(111) as a Function of Experimental Conditions: A Density Functional Theory Study
2018
International audience; The adsorption of cis and trans 2-butenes on Pt(111) has been studied as a function of hydrogen coverage OH by means of calculations based on density functional theory (DFT) with the inclusion of dispersion forces. All hydrogen coverages have been considered, from 0 to 1.00 monolayer (ML). For each case, the di-sigma and pi adsorption geometries of the olefins have been compared at a surface coverage of theta(C4H8) = 0.11 ML. Calculations of the Gibbs free energies of these systems have identified the most stable 2-butene isomer (cis or trans) as a function of coverage, temperature, and pressure. In particular, focus was placed on two sets of conditions, namely, one …