0000000000896795

AUTHOR

Philippe Poizot

showing 4 related works from this author

A tris-oxovanadium pyrogallate complex: synthesis, structure, and magnetic and electronic properties

2021

International audience; With the aim of identifying new cation-phenolate complexes, we herein investigated the reactivity of pyrogallol (H(3)pgal) with vanadium salts. A trimetallic anionic complex was identified, and found to be formed under a broad set of reaction conditions. This complex, with the formula V3O3(pgal)(3)(3-), consists of three oxovanadium(iv) units connected together by three pyrogallate ligands to afford a bowl-shaped species presenting a pseudo 3-fold symmetry axis. Its crystal structure is reported, as well as its characterisation by a broad set of techniques, including powder X-ray diffraction, thermogravimetric analysis, infrared and Raman spectroscopy, and solid stat…

Thermogravimetric analysisMaterials science010405 organic chemistryInfraredQuímica organometàl·licaVanadiumchemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryCompostos orgànics Síntesisymbols.namesakeCrystallographychemistry[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]symbolsMetal-organic frameworkReactivity (chemistry)Diffuse reflectionRaman spectroscopyDalton Transactions
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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…

General Physics and AstronomyThermodynamics02 engineering and technology010402 general chemistry01 natural sciencesDilithiumchemistry.chemical_compoundsymbols.namesakeLattice constantLattice constantVan der Waals radiusPhysical and Theoretical ChemistryLattice energyIntermolecular forceAtoms in moleculesBond lengths[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnology0104 chemical sciencesBond lengthCrystallographyDilithium squaratechemistry[ CHIM.MATE ] Chemical Sciences/Material chemistrySolventsymbolsDensity functional theoryStacking parametersDensity functional theory0210 nano-technology
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CCDC 2087735: Experimental Crystal Structure Determination

2021

Related Article: Hassan Mkhadder, Morgane Denis, Mónica Giménez-Marqués, Walter Cañón-Mancisidor, Bernard Humbert, Elise Deunf, Philippe Poizot, Thomas Devic|2021|Dalton Trans.|50|13399|doi:10.1039/D1DT01990B

Space GroupCrystallographyCrystal SystemCrystal Structuretri-potassium tris(mu-benzene-123-triolato)-tris(oxido)-tri-vanadium NN-dimethylformamide solvateCell ParametersExperimental 3D Coordinates
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CCDC 2087736: Experimental Crystal Structure Determination

2021

Related Article: Hassan Mkhadder, Morgane Denis, Mónica Giménez-Marqués, Walter Cañón-Mancisidor, Bernard Humbert, Elise Deunf, Philippe Poizot, Thomas Devic|2021|Dalton Trans.|50|13399|doi:10.1039/D1DT01990B

Space GroupCrystallographyCrystal Systemtri-potassium tris(mu-benzene-123-triolato)-tris(oxido)-tri-vanadium tetrahydrateCrystal StructureCell ParametersExperimental 3D Coordinates
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