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Saad Sene Marc Reinholdt Dr. Guillaume Renaudin Dr. Dorothée Berthomieu Prof. Claudio M. Zicovich‐Wilson Prof. Christel Gervais Dr. Philippe Gaveau Prof. Christian Bonhomme Dr. Yaroslav Filinchuk Prof. Mark E. Smith Prof. Jean‐Marie Nedelec Dr. Sylvie Bégu Dr. P. Hubert Mutin Dr. Danielle Laurencin 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(3):880-891
Boronic acids (R‐B(OH)2) are a family of molecules that have found a large number of applications in materials science. In contrast, boronate anions (R‐B(OH)3?) have hardly been used so far for the preparation of novel materials. Here, a new crystalline phase involving a boronate ligand is described, Ca[C4H9‐B(OH)3]2, which is then used as a basis for the establishment of the spectroscopic signatures of boronates in the solid state. The phase was characterized by IR and multinuclear solid‐state NMR spectroscopy (1H, 13C, 11B and 43Ca), and then modeled by periodic DFT calculations. Anharmonic OH vibration frequencies were calculated as well as NMR parameters (by using the Gauge Including Projector Augmented Wave—GIPAW—method). These data allow relationships between the geometry around the OH groups in boronates and the IR and 1H NMR spectroscopic data to be established, which will be key to the future interpretation of the spectra of more complex organic–inorganic materials containing boronate building blocks. 相似文献
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Radovan erný Jean‐Marc Joubert Yaroslav Filinchuk Yves Feutelais 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):i63-i65
The crystal structure of Tl2Te, dithallium telluride, has been determined by single‐crystal X‐ray diffraction. The analysis of the structure shows that this compound is the first known representative of a new crystal structure type. The structural relationship with the related Tl5Te3 phase is discussed. 相似文献
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Gel'mbol'dt V. O. Filinchuk Ya. E. Koroeva L. V. 《Russian Journal of Coordination Chemistry》2003,29(11):818-818
Russian Journal of Coordination Chemistry - 相似文献
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Fijalkowski KJ Genova RV Filinchuk Y Budzianowski A Derzsi M Jaroń T Leszczyński PJ Grochala W 《Dalton transactions (Cambridge, England : 2003)》2011,40(17):4407-4413
We describe the successful synthesis of the first mixed-cation (pseudoternary) amidoborane, Na[Li(NH(2)BH(3))(2)], with theoretical hydrogen capacity of 11.1 wt%. Na[Li(NH(2)BH(3))(2)] crystallizes triclinic (P1) with a = 5.0197(4) ?, b = 7.1203(7) ?, c = 8.9198(9) ?, α = 103.003(6)°, β = 102.200(5)°, γ = 103.575(5)°, and V = 289.98(5) ?(3) (Z = 2), as additionally confirmed by Density Functional Theory calculations. Its crystal structure is topologically different from those of its orthorhombic LiNH(2)BH(3) and NaNH(2)BH(3) constituents, with distinctly different coordination spheres of Li (3 N atoms and 1 hydride anion) and Na (6 hydride anions). Na[Li(NH(2)BH(3))(2)], which may be viewed as a product of a Lewis acid (LiNH(2)BH(3))/Lewis base (NaNH(2)BH(3)) reaction, is an important candidate for a novel lightweight hydrogen storage material. The title material decomposes at low temperature (with onset at 75 °C, 6.0% mass loss up to 110 °C, and an additional 3.0% up to 200 °C) while evolving hydrogen contaminated with ammonia. 相似文献
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Natalya F. Salivon Yaroslav E. Filinchuk Volodymyr V. Olijnyk 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m57-m58
The title complex, [CuCl(C4H8OS)]n, contains infinite spiral (CuS)n chains linked by bridging Cl atoms into layers. The Cl atoms do not form polymeric fragments with CuI, but combine into isolated centrosymmetric Cu2Cl2 units. The compound is non‐isomorphous with the Br‐containing analogue, which contains Cu8S8 rings linked by Br atoms into chains. The O atom of the 1,4‐oxathiane molecule does not realize its coordination abilities in the known copper(I)–halide complexes, while in copper(II)–halide complexes, oxathiane is coordinated via the S and O atoms. This falls into a pattern of the preferred interactions, viz. weak acid (CuI atom) with weak base (S atom) and harder acid (CuII atom) with harder base (O atom). 相似文献
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Mel'nik S. G. Filinchuk Ya. E. Shtemenko A. V. 《Russian Journal of Coordination Chemistry》2004,30(11):786-791
Compound [Re2(CH3COO)2Cl4((CH3)2NCOCH3)2] is synthesized. The influence of parameters of the hydrothermal synthesis under elevated pressure on the yield of a target product and its molecular structure and physicochemical properties is studied. In the neutral complex with cis-arrangement of the bridging acetate and terminal chloride ligands with respect to the multiply bonded Re2
6+ complex-forming center, the Re–Re bond length is 2.2418(3) Å. Dimethylacetamide molecules are in the axial positions, the Re–O bond lengths being 2.304(3) and 2.321(4) Å. The influence of the donor ability of the axial substituents in analogous structures of the rhenium(III) binuclear clusters on the Re–Re and Re–Lax bond lengths is analyzed. 相似文献
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Llewellyn PL Maurin G Devic T Loera-Serna S Rosenbach N Serre C Bourrelly S Horcajada P Filinchuk Y Férey G 《Journal of the American Chemical Society》2008,130(38):12808-12814
The adsorption of C1 to C4 linear hydrocarbons in the flexible metal organic framework MIL-53(Cr) has been followed by adsorption manometry coupled with microcalorimetry and Synchrotron X-ray powder diffraction. This experimental investigation was completed by molecular modeling. In the case of methane, the solid remains rigid whatever the adsorbate amount. However for the C2-C4 series, an increasing flexibility of the structure is observed, which is ascribed first to a breathing of the material from a large pore to a narrow pore form followed by a further expansion at high pressure. The collected thermodynamic and structural information suggests that a minimum adsorption enthalpy of ca. 20 kJ mol (-1) in the initial large pore structure of MIL-53(Cr) is required to induce the structural transition "large to narrow pore". Further, the enthalpy of adsorption can be used to predict the pressure at which the structure reopens. Finally, the magnitude of the breathing can be related to the size of the probe molecule via the van der Waals volume. The above trends have been successfully verified in the case of water and carbon dioxide. This combined experimental and theoretical approach gives the first elements for the prediction of whether or not the MIL53 and similar flexible structures will respond to gas loading and what would be the pressure required and further the amplitude of the induced breathing. 相似文献
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Filinchuk Ya. E. Pavlyuk A. V. Ciunik L. Z. Mys'kiv M. G. 《Russian Journal of Coordination Chemistry》2004,30(11):818-824
The crystals of N-allylisoquinolinium chlorides of the compositions [C9H7N(C3H5)]2CuIICl4 (I), [C9H7N(C3H5)]CuICl2 · H2O (II), and [C9H7N(C3H5)]CuICl1.43Br0.57 · H2O (III) were prepared by alternating-current electrosynthesis. X-ray diffraction analysis (using diffractometer models DARCH1 for I, STOE for II, and KUMA/CCD for III, MoK
radiation) showed that the crystals of I are monoclinic, space group P21/n, a = 14.91(1) Å, b = 10.41(1) Å, c = 16.90(1) Å, = 109.73(8)°, V = 2470(8) Å3, Z = 4. The crystals of isostructural compounds II and III are triclinic, space group P, Z = 2; crystals II: a = 7.2446(6) Å, b = 7.4379(6) Å, c = 12.110(1) Å, = 80.95(1)°, = 85.55(1)°, = 86.60(1)°, V = 641.8(2) Å3; crystals III: a = 7.253(2) Å, b = 7.459(4) Å, c = 12.151(5) Å, = 80.82(4)°, = 83.73(3)°, = 86.81(4)°, V = 644.6(9) Å3. The structure of I is composed of CuIICl4
2– tetrahedra and N-allylisoquinolinium cations united by C–H···Cl hydrogen bonds in corrugated layers. The crystal structures of -complexesII and III are built of [C9H7(C3H5)]2Cu2
IX4 dimers, which form layers along the c axis due to the C–H···X hydrogen bonds. An important role in the structure formation is played by water molecules, which crosslink the organometallic layers to form a three-dimensional framework through the O–H···X contacts. 相似文献
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Sarah Sulzer‐Mossé Alexandre Alexakis Prof. Jiri Mareda Dr. Guillaume Bollot Gerald Bernardinelli Dr. Yaroslav Filinchuk Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2009,15(13):3204-3220
Chiral framework : Chiral amines with pyrrolidine frameworks catalyze the enantioselective conjugate addition of a wide range of aldehydes to various vinyl sulfones and vinyl phosphonates in high yields and with enantioselectivities up to >99 % ee (see scheme). The high versatility of the Michael adducts is exemplified by various functionalizations with conservation of the optical purity.