Search results for "Single Crystals"

showing 2 items of 12 documents

Lattice Dynamics Study of HgGa2Se4 at High Pressures

2013

We report on Raman scattering measurements in mercury digallium selenide (HgGa2Se4) up to 25 GPa. We also performed, for the low-pressure defect-chalcopyrite structure, lattice-dynamics ab initio calculations at high pressures which agree with experiments. Measurements evidence that the semiconductor HgGa2Se4 exhibits a pressure-induced phase transition above 19 GPa to a previously undetected structure. This transition is followed by a transformation to a Raman-inactive phase above 23.4 GPa. On downstroke from 25 GPa until 2.5 GPa, a broad Raman spectrum was observed, which has been attributed to a fourth phase, and whose pressure dependence was followed during a second upstroke. Candidate …

Raman scatteringLattice dynamicsHydrostatic pressureAb initioInitio molecular-dynamicssingle crystalsMolecular physicssymbols.namesakeX-Ray DiffractionPhysical and Theoretical ChemistryHydrostatic pressureValenciaOptical propertiesCondensed matter physicsbiologyChemistrybiology.organism_classificationSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsPhonon modesGeneral EnergySemiconductorsFISICA APLICADAAb initioX-ray crystallographysymbolsInduced phase-transitionsRaman scatteringThe Journal of Physical Chemistry C
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Crystal structure of 5-(4-tert-butoxyphenyl)-3-(4-n-octyloxyphenyl)-4,5-dihydroisoxazole

2019

The molecule of the title compound, C27H37NO3, was prepared by [3 + 2] 1,3-dipolar cycloaddition of 4-n-octylphenylnitrile oxide and 4-tert-butoxystyrene, the latter compound being a very useful intermediate to the synthesis of liquid-crystalline materials. In the molecule, the benzene rings of the n-octyloxyphenyl and tert-butoxyphenyl groups form dihedral angles of 2.83 (7) and 85.49 (3)°, respectively, with the mean plane of the isoxazoline ring. In the crystal, molecules are linked by weak C—H...O hydrogen interactions into chains running parallel to the b axis.

crystal structureCrystallographyOxideGeneral ChemistryCrystal structureisoxazolinesDihedral angleCondensed Matter PhysicsRing (chemistry)Medicinal chemistrysingle crystalsCrystalchemistry.chemical_compoundliquid crystalschemistryLiquid crystalQD901-999General Materials ScienceIsoxazoleBenzene[3 + 2] cycloadditionActa Crystallographica Section E: Crystallographic Communications
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