Search results for "Material chemistry"
showing 10 items of 413 documents
Flux growth at 1230 °C of cubic Tb2O3 single crystals and characterization of their optical and magnetic properties
2015
International audience; In this work, we present the first crystal growth of cubic Tb2O3 single crystals by a controlled atmosphere flux method which uses a heavy metal free solvent working at less than half the melting temperature of this sesquioxide. Cubic millimeter-sized crystals extracted from as-grown boules are phase (powder XRD) and chemically (GDMS) pure and exhibit a Verdet constant in the visible and near-infrared spectral ranges, which is at least three times higher than that of a commercial Tb3Ga5O12 (TGG) crystal. The 1.36 mm thick crystals display a transmission coefficient higher than 77% over the 525 nm–1.38 μm spectral range. The absorption spectrum, magnetic susceptibilit…
Electroactive polymeric material with condensed structure on the basis of magnesium(II) polyporphine
2011
International audience; Previous publication of the authors presented evidences that electroch emical oxidation of Mg(II) porphine (fully unsubstituted porphyrin, MgP) in acetonitrile (AN) at a very low potential leads to deposition of films at electrode surface corresponding to typical electroactive polymers, with their reversible transition betwee n the electronconducting and insulating states depending on the electrode potential/oxidation level ("film of type I"). It is demonstrated in the actual publication that these films in contact with a monomer-free solution are subject to an irreversible transformation to quite a different material ("film of type II") under the influence of a high…
Isolation of the CH3˙ rotor in a thermally stable inert matrix: first characterization of the gradual transition from classical to quantum behaviour …
2014
International audience; Matrix isolation is a method which plays a key role in isolating and characterizing highly reactive molecularradicals. However, the isolation matrices, usually composed of noble gases or small diamagnetic molecules,are stable only at very low temperatures, as they begin to desegregate even above a few tens of Kelvin.Here we report on the successful isolation of CH3 radicals in the cages of a nearly inert clathrate–SiO2matrix. This host is found to exhibit a comparable inertness with respect to that of most conventionalnoble gas matrices but it is characterized by a peculiar thermal stability. The latter property is related to thecovalent nature of the host material a…
Electrochemical properties of crystallized dilithium squarate: insight from dispersion-corrected density functional theory.
2012
International audience; The stacking parameters, lattice constants, and bond lengths of solvent-free dilithium squarate (Li(2)C(4)O(4)) crystals were investigated using density functional theory with and without dispersion corrections. The shortcoming of the GGA (PBE) calculation with respect to the dispersive forces appears in the form of an overestimation of the unit cell volume up to 5.8%. The original Grimme method for dispersion corrections has been tested together with modified versions of this scheme by changing the damping function. One of the modified dispersion-corrected DFT schemes, related to a rescaling of van der Waals radii, provides significant improvements for the descripti…
Investigation of the Na2O/Ag2O ratio on the synthesis conditions and properties of the 80TeO2–10ZnO–[(10−x)Na2O–xAg2O] glasses
2019
International audience; Properties of the tellurite glasses 80TeO2–10ZnO–[(10−x)Na2O–xAg2O] are investigated as a function of the substitution ratio x between Na2O and Ag2O. One observe that the variation of glass transition temperature decreases monotonously with x and that surface crystallization mechanism is favored. The assignment of the Raman bands and their relation with the underlying glass structure is discussed. While both Na2O and Ag2O oxides act as glass network modifiers, their progressive equimolar substitution does not lead to a meaningful evolution in the structure of the TZ[Na10-xAgx] glass. The refractive index and the cut-off wavelength are found to increase with x. The co…
Microstructure and property of titanium heterogeneous laser welding
2015
International audience; Dissimilar welding has been investigated for three different couples of titanium alloys: α/α+β, α/β and α+ββp. Plates of 100 x 60 x 1.6 or 1.8 mm were welded with a Yb: YAG laser. Tensile tests show that the properties of the dissimilar welded specimens were generally controlled by Those of the weakest material except for the α+β/β where the ultimate tensile strength was approximately equal to the average value of both materials. In every case, the welding sample elongation was found to be smaller than that of the base metals. The rupture took place away from the bead and was found to be always located in the alloy having the lowest mechanical properties. Nevertheles…
Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1 H -pyrazole and isoxazole as substitue…
2019
This work describes the synthesis and characterization of a new class of oxamic acid derivatives containing pyrazole and isoxazole as substituents to investigate their ability to form hydrogen bonds aiming at applying them in crystal engineering and molecular self-recognition. In this respect, we report a new synthesis of 2-(4-nitrophenyl)-1,3-propanedial (1) in high yield using SOCl2 as a chlorinating agent. The new oxamic esters 4-(1H-pyrazol-4-yl)phenylene-N-(ethyloxamate) (2d) and 4-(1,2-oxazol-4-yl)phenylene-N-(ethyloxamate) (3d) were prepared from 1. The synthetic route consists of the cyclisation of 1 either with hydrazine to afford 4-(-aminophenyl)-1H-pyrazole (2a) or with hydroxyla…
Hepta- and tetra-nuclear copper(II) clusters self-assembled by cyano- and azacyano-carbanions
2015
International audience; Two polynuclear copper(II) complexes with hydroxido-bridging ligands and polycyanide units, [Cu{Cu(tn)}6(μ2-OH)2(μ3-OH)4Cl2](tcm)4Cl2·2H2O (1) and [{Cu(bpy)}4(OH)4(dca)2](dca)2·bpy·2H2O (2) (tn = NH2(CH2)3NH2; tcm− = [C(CN)3]−, bpy = 2,2′-bipyridyl, dca− = [N(CN)2]−) have been prepared by one-pot reactions. The structure of 1 consists of a centrosymmetric heptanuclear ion [Cu{Cu(tn)}6(μ2-OH)2(μ3-OH)4Cl2]6+. The tcm− and the halide anions which appear as counter-ions in the formula unit, play an important role in the stabilization of the complex since the hydrogen bonding between nitrogen atoms of the tcm− anion and halide anions, and hydrogen atoms of the terminal wa…
Study of the hydrolysis of lithium hydride
2015
The hydrolysis of LiH at room temperature and under low water vapor pressure (PH2O < 10 hPa) is investigated by thermogravimetry and FTIR spectroscopy with low sample mass. Then, to be closer to industrial conditions, hydrolysis of LiH is studied by manometry either in closed (adjustable PH2O) or open (constant PH2O) system using larger amounts of sample and heavy water. Products of the reaction are characterized by X-ray diffraction and FTIR spectroscopy. The first set of experiments show that the mechanism of hydrolysis starts with the formation of lithium oxide Li2O. Then, when the oxide layer is sufficiently thick, the hydrolysis reaction is followed by the formation of lithium hydroxid…
Vibrational Properties of CuO and Cu4O3 from First-Principles Calculations, and Raman and Infrared Spectroscopy
2012
International audience; A combined experimental and theoretical study is reported on the vibrational properties of tenorite CuO and paramelaconite Cu4O3. The optically active modes have been measured by Raman scattering and infrared absorption spectroscopy. First-principles calculations have been carried out with the LDA+U approach to account for strong electron correlation in the copper oxides. The vibrational properties have been computed ab initio using the so-called direct method. Excellent agreement is found between the measured Raman and infrared peak positions and the calculated phonon frequencies at the Brillouin zone center, which allows the assignment of all prominent peaks of the…