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11.
12.
Omar Kammoun Nouha Loulou Walid Rekik Houcine Na?li Tahar Mhiri Thierry Bataille 《Journal of chemical crystallography》2012,42(2):103-110
Abstract
The new hybrid material, cobalt selenate templated by 1,4-diazabicyclo[2.2.2]octane (abbreviated dabco), has been synthesised by the slow evaporation method at room temperature. Its crystal structure was investigated using single crystal X-ray diffraction data. It crystallises in the monoclinic system (space group P21/c) with the following unit-cell parameters: a = 12.9169(2) ?, b = 11.9101(2) ?, c = 12.4951(2) ?, β = 108.484(1)°, V = 1823.10(5) ?3 and Z = 4. The supramolecular structure of (C6H14N2)[Co(H2O)6](SeO4)2 consists of isolated [Co(H2O)]2+ and (C6H14N2)2+ cations and (SeO4)2− anions linked together by three dimensional hydrogen-bond network. The infrared spectroscopy confirmed the presence of these different entities. The thermal behaviour of the precursor, studied by thermodiffractometry and thermogravimetric analyses, indicates that its decomposition proceeds through three stages giving rise to the cobalt oxide. 相似文献13.
A new organically templated metal sulfate has been synthesized and characterized. At room temperature, dabcodiium hexaaquacopper(II) bis(sulfate), (C6H14N2)[Cu(H2O)6](SO4)2 crystallizes in the monoclinic symmetry (space group P21/n) with the following unit cell parameters: a = 6.9533(2), b = 12.5568(2), c = 9.9434(2) Å; β = 90.526(1)° and Z = 2. Its crystal structure is built from isolated [Cu(H2O)6]2+, and disordered ions linked together by a hydrogen-bonding network. The title compound undergoes a reversible phase transition of the first-order type at 265.7/281.8 K on heating–cooling runs. Below the phase transition temperature, the structure is fully ordered. 相似文献
14.
Walid Rekik Houcine Na?li Tahar Mhiri Thierry Bataille 《Journal of chemical crystallography》2007,37(2):147-155
The crystal structure of manganese sulfate templated by 1,4-diaza-bicyclo[2.2.2]octane (abbreviated dabco), (C6H14N2)[Mn(H2O)6](SO4)2, was investigated using single crystal X-ray diffraction data. It crystallises in the monoclinic system (space group P21/c) with the following unit-cell parameters: a = 12.1392(2) ?, b = 12.3117(2) ?, c = 12.2765(2) ?, β = 104.607(1)°, V = 1775.47(5) ?3 and Z = 4. The structure has been solved using direct methods and refined by least-squares analysis [R
1 = 0.0381, wR
2 = 0.1082]. The crystal structure of the title compound is built from isolated [Mn(H2O)6]2+ octahedral cations, 1,4-diaza-bicyclo[2.2.2]octandiium cations (C6H14N2)2+ and sulfate anions (SO4)2− connected by a three-dimensional hydrogen-bond network. The thermal decomposition of the precursor, studied by thermogravimetry
and temperature-dependent X-ray powder diffraction, proceeds through four stages giving rise to the mixture of Mn2O3and Mn3O4.
Supplementary Material CCDC 620298 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from
The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif. 相似文献
15.
The technique of ferromagnetic resonance at 23 GHz has been used to determine the first three anisotropy constants of pure Ni down to 4.2K. A temperature and orientation dependent linewidth has also been observed. 相似文献
16.
A new series of mixed potassium and rare-earth squarates, [Ln(H(2)O)(6)]K(H(2)C(4)O(4))(C(4)O(4))(2) (Ln = Y, La, Gd, Er), has been synthesized and structurally characterized from single-crystal X-ray diffraction and spectroscopic analyses. The yttrium-based compound crystallizes with a monoclinic symmetry, space group C2/c [a = 8.3341(2) A, b = 37.7094(9) A, c = 11.7195(3) A, beta = 90.3959(9) degrees , V = 3683.1(2) A(3), Z = 8]. The structure is built from layers maintained together via hydrogen bonds. Within a layer, squarate ligands act as linkers between lanthanide and potassium cations. The thermal decomposition of the precursors has been studied by powder thermodiffractometry and thermal analyses. It is shown that crystalline intermediate phases are formed during the degradation. Among them, unprecedented mixed anhydrous squarates, LnK(C(4)O(4))(2), could be isolated. The crystal structure of the Y compound has been solved ab initio from X-ray powder diffraction data, using direct-space methods [a = 6.2010(5) A, c = 11.639(1) A, V = 447.55 A(3), Z = 2]. The structure consists of layers of edge-sharing YO(8) and KO(8) antiprisms, pillared by mu(8)-squarate groups. The end of the precursor decomposition is marked by the formation of cubic sesquioxides Ln(2)O(3), including lanthanum oxide. 相似文献
17.
Guillaume Brillant Françoise Bataille Frédéric Ducros 《Theoretical and Computational Fluid Dynamics》2004,17(5-6):433-443
The modifications of a turbulent boundary layer induced by blowing through a porous plate were investigated using large-eddy simulation. The Reynolds number (based on the length of the plate) of the main flow was about 850000. Large-eddy simulations of such a boundary layer needs a turbulent inflow condition. After a review of available turbulent inflow, we describe in details the condition we developed, which consisted of recycling the velocity fluctuations. Then we show the necessity for this inflow to be non-stationary and to be three dimensional with respect to the mass conservation equation. If these properties are not achieved, we found that the velocity fluctuations do not grow as expected along the domain. Finally, the results of simulations of the boundary layer submitted to blowing are compared with experimental measurements. The good agreement obtained validate our turbulent inflow conditions and also the blowing model used. PACS 47.27.Eq, 47.27.Te, 44.20.+b 相似文献
18.
R. Jlassi W. Rekik H. Naïli T. Mhiri T. Bataille 《Journal of Structural Chemistry》2013,54(6):1122-1132
Two organic-inorganic hybrid compounds (C5H14N2)[Cd(H2O)6](SO4)2 (I) and R-(C5H14N2)×[Cd(H2O)6](SO4)2 (II) are synthesized by the slow evaporation method and characterized by single crystal X-ray diffraction, thermogravimetry, temperature-dependent X-ray diffraction, and infrared spectroscopy. The first compound crystallizes in the centrosymmetric space group P21/n with the following unit cell parameters: a = 6.6208(2) Å, b = 10.6963(3) Å, c = 12.9318(4) Å, V = 893.05(6) Å3, and Z = 2. Its structure is solved by direct methods and refined by the least-squares analysis [R 1 = 0.0389 and wR 2 = 0.0821]. This compound shows a crystallographic disorder II destroys the inversion symmetry and leads to a fully ordered structure. Indeed, compound II crystallizes in the non-centrosymmetric space group P21 with the following unit cell parameters: a = 6.6306(1) Å, b = 10.7059(2) Å, c = 12.9186(1) Å, V = 894.67(2) Å3, and Z = 2. The crystal structure of both compounds is built from isolated SO 4 2? anions, disordered 2-methylpiperazinediium, (C5H14N2)2+ in compound I or R-2-methylpiperazinediium R-(C5H14N2)2+ in compound II, and divalent metal cations surrounded by six water molecules. These different entities are connected together only by a 3D hydrogen bond network. The thermodiffractometry and the thermogravimetric analyses indicate that the decomposition of the supramolecular precursors proceeds through several stages leading to cadmuim oxide. 相似文献
19.
20.
The mechanism of thermal degradation of poly(vinyl chloride) has been studied by pyrolysis up to 400°C in a thermobalance under four kinds of dynamic atmospheres: helium, oxygen, air, and hydrogen chloride. The gaseous product from the thermobalance was analyzed for hydrogen chloride by the argentometric determination of chloride ions by using Mohr's method. An attempt was made to analyze for other gases in the product stream by chromatography with the use of a glass column, but failed due to the accumulation irreversibly of hydrogen chloride on the column. The molecular weights of the samples were determined by measurements of viscosities at 25°C in cyclohexanone; their molecular weight distributions were studied by fractionation and gelpermeation chromatography (GPC). From the thermograms, the mechanism of degradation in different heating atmospheres, the rate, the heat effect, the energy of activation, and the order of decomposition were deduced. 相似文献