Search results for "Tungsten"

showing 10 items of 372 documents

CCDC 1951518: Experimental Crystal Structure Determination

2020

Related Article: Matias Zapata-Lizama, Patricio Hermosilla-Ibáñez, Diego Venegas-Yazigi, Guillermo Mínguez Espallargas, Lauro June Queiroz Maia, Gisane Gasparotto, Ricardo Costa De Santana, Walter Cañón-Mancisidor|2020|Inorg.Chem.Front.|7|3049|doi:10.1039/D0QI00232A

Space GroupCrystallographytris(tetra-n-butylammonium) (mu-hydroxo)-tricosakis(mu-oxo)-(mu-phosphato)-undecaoxo-bis(110-phenanthroline)-holmium-undeca-tungsten monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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A Computational Study of Two-State Conformational Changes in 16-Electron [CpW(NO)(L)] Complexes (L=PH3, CO, CH2, HCCH, H2CCH2)

1999

International audience; High-spin and low-spin [CpW(NO) (L)] complexes are calculated to be remarkably close in energy. Several critical conformational changes in the singlet compounds are predicted to proceed more readily by spin crossover to the triplet hypersurface. The relationships between spin state, π bonding, ligand orientation, and geometry at W are explored.

Spin statesChemistryLigandOrganic ChemistryGeneral ChemistryState (functional analysis)ElectronSpin crossoverCatalysisTungstenLigand effects[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyDensity functional calculationsHypersurfaceSpin crossoverComputational chemistryPi interactionsPi interactionCondensed Matter::Strongly Correlated Electrons[CHIM.COOR]Chemical Sciences/Coordination chemistrySinglet state
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Synthesis of new half sandwich tetrachloro derivatives of molybdenum(V) and tungsten(V). X-ray structures of (C5HPri4)W(CO)3(CH3) and (C5Et5)WCl4

2002

International audience; The new synthetic intermediates (Ring)MCl4 [Ring=C5HPri4 or 4Cp, M=Mo, 2; Ring=C5Et5 or VCp, M=W, 4, Ring=4Cp, M=W, 6] containing sterically protecting cyclopentadienyl ligands have been synthesized. Along the synthetic pathway to 2, it was found that the treatment of [4CpMo(CO)3]− with an aqueous ferric solution according to the well established Manning procedure affords the hydride compound 4CpMo(CO)3H (1) by hydrolysis rather than the expected neutral dimer by oxidation. Compound 1 could be converted, however, to 2 upon oxidation with PhICl2 in good yields. Compound 4 is shown by a single crystal X-ray analysis to adopt a monomeric four-legged piano stool structur…

StereochemistryDimerchemistry.chemical_element010402 general chemistryRing (chemistry)01 natural sciencesBiochemistryTungstenInorganic Chemistrychemistry.chemical_compoundCyclopentadienyl complexOrganometallic synthesisMaterials Chemistrymedicine[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryBulky cyclopentadienyl ligandsMolybdenumAqueous solution010405 organic chemistryHydrideOrganic Chemistry0104 chemical sciencesCrystallographychemistryMolybdenumFerricX-ray structureSingle crystalmedicine.drug
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Electrochemical and DFT studies of the oxidative decomposition of the trihydride complexes Cp*M(dppe)H3 (M = Mo, W) in acetonitrile

2006

International audience; A detailed electrochemical study of the oxidative decomposition of the trihydride complexes Cp*M(dppe)H3 (M = Mo, W) in acetonitrile is presented. For the Mo complex, the decomposition occurs by four different pathways involving classical and non-classical tautomers, whereas only the classical form is accessible for the W derivative. Each of the decomposition pathways has been quantitatively assessed by analyses of the linear sweep voltammograms. In addition to the previously established (B. Pleune, D. Morales, R. Meunier-Prest, P. Richard, E. Collange, J. C. Fettinger and R. Poli, J. Am. Chem. Soc., 1999, 121, 2209–2225) deprotonation, disproportionation, and H2 red…

StereochemistryDisproportionation010402 general chemistryElectrochemistry01 natural sciencesMedicinal chemistryDFTCatalysisReductive eliminationTungstenchemistry.chemical_compoundDeprotonationComplexMaterials Chemistrypentamethylcyclopentadienyl[CHIM.COOR]Chemical Sciences/Coordination chemistryAcetonitrileComputingMilieux_MISCELLANEOUSMolybdenumPhenylphosphinoethane010405 organic chemistryChemistry[ CHIM.COOR ] Chemical Sciences/Coordination chemistryGeneral ChemistryAssociative substitutionRate-determining stepTautomer0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryTrihydridoPentamethylcyclopentadienyl ligand
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Tungsten(VI)-gluconic acid complexes: Polarimetric and13C-N.m.r. Studies in an excess of tungsten(VI)

1986

A polarimetric study of the tungsten (VI)-gluconic acid system in an excess of metal reveals the formation of four stable complexes: two monomers with 1 : 2 and 2: 1 stoichiometries and two dimers of 2:2 composition. The pH ranges of these species, the amount of acid equivalents their formation requires, and their conditional stability constants have also been calculated.

StereochemistryInorganic chemistryMetals and Alloyschemistry.chemical_elementTungstenCatalysisInorganic ChemistryMetalchemistry.chemical_compoundchemistryStability constants of complexesvisual_artAldonic acidMaterials Chemistryvisual_art.visual_art_mediumGluconic acidStoichiometryOrganometallic chemistryTransition Metal Chemistry
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Mono- and Bimetallic Zwitterionic Chromium(0) and Tungsten(0) Allenyls

2015

A series of stable chiral (racemic), formally neutral, zwitterionic mono- and bimetallic M(CO)5[C(OEt)═C═CR(NHC)] (M = Cr, W) σ-allenyls are ready available by the addition of N-heterocyclic carbenes (NHCs) to Cr(0) and W(0) alkynyl Fischer carbene complexes. Different classes of NHCs, (e.g., 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene, 1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene, and their six- and seven-membered analogues and 1,3-bis(dimethyl)imidazol-2-ylidene) were employed as nucleophiles in these C-C bond-forming reactions yielding the novel complexes in essentially quantitative yields. A systematic experimental and computational study of the electronic properties of the C…

StereochemistryTransition metal carbene complexchemistry.chemical_elementTungstenMedicinal chemistryInorganic ChemistryRing sizeMetalChromiumchemistryNucleophilevisual_artvisual_art.visual_art_mediumMoietyPhysical and Theoretical ChemistryBimetallic stripInorganic Chemistry
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Preparation of trichloro- and tribromocyclopentadienyltungsten(IV)

2000

International audience; The thermal decarbonylation of (Ring)WX3(CO)2 in refluxing toluene has led to the preparation of the CO-free compounds [(Ring)WX3]2 [Ring=η5-C5H5 (Cp) and X=Cl (1a) or Br (1b); Ring=η5-C5H4Me (Cp′), X=Cl (2a) or Br (2b); Ring=η5-C5Me5 (Cp*), X=Cl (3)]. The NMR properties of these molecules are consistent with diamagnetism and thereby indicate a different structure from that of the paramagnetic molybdenum analogues. Compounds 1a and 2a react with dppe to afford mononuclear 18-electron adducts, (Ring)WCl3(dppe) (Ring=Cp (4) or Cp′ (5)). The X-ray structure of 5 shows a pseudo-fac-octahedral geometry with the dppe ligand occupying two equatorial (e.g. cis relative to Cp…

Stereochemistrychemistry.chemical_element010402 general chemistryRing (chemistry)01 natural sciencesBiochemistryMedicinal chemistryCO-free compoundsTungstenAdductInorganic ChemistryParamagnetismchemistry.chemical_compoundMaterials ChemistryMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistry010405 organic chemistryLigandOrganic ChemistryDecarbonylationMetal–metal bondsToluene0104 chemical sciences3. Good healthDiamagnetismchemistryMolybdenumX-ray structuresJournal of Organometallic Chemistry
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Mo-W-containing tetragonal tungsten bronzes through isomorphic substitution of molybdenum by tungsten

2010

Mixed metal oxides based in Mo(W)–Nb–V–Te with tetragonal tungsten bronze (TTB) structure have been synthesized by a hydrothermal method from aqueous solutions of the corresponding Keggin-type heteropolyacids and further heat-treatment in N2 at 700 ◦ C. The materials have been characterized by several physico-chemical techniques, i.e. XRD, Raman, FTIR, SEM-EDS, and TEM. This procedure allows controlling the chemical species to be distributed in the different interstices of the TTB skeleton, which is a key factor to regulate the catalytic properties of the final solid. In this sense, the isomorphic replacement of Mo by W results in lattice parameter and crystal morphology variation, although…

Stereochemistrychemistry.chemical_elementGeneral ChemistryTTB-bronzePartial oxidation of propeneTungstenCatalysisMo–V–Te–Nb–W–P–O mixed metal oxidesTetragonal crystal systemCrystallographyLattice constantchemistryTransition metalIsomorphic substitution of molybdenum by tungstenMolybdenumPINTURAX-ray crystallographyHydrothermal synthesisHydrothermal synthesisPartial oxidation
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Mononuclear tungsten(VI) complexes with methylenebis(6-alkylphenol)s

2003

Abstract Reaction of monomeric tungsten(VI) complex [W(eg)3] (1) (eg=1,2-ethanediolate dianion) with either one or 2 equiv. of 2,2′-methylenebis(6-alkylphenol) [alkyl=Me (H2L1), iPr (H2L2), tBu (H2L3)] provides heteroleptic complexes [W(eg)2(Ln)] (2) and [W(eg)(Ln)2] (3), respectively. Sterically hindered ligand precursor H2L3, which bear bulky tert-butyl groups in ortho-positions, can form only a complex corresponding to formula 2.

Steric effectschemistry.chemical_classificationAlkylphenolLigandchemistry.chemical_elementCrystal structureTungstenMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundMonomerchemistryMaterials ChemistryOrganic chemistryPhysical and Theoretical ChemistryAlkylPolyhedron
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Simulation of tungsten tip-Al(100) surface electronic structure through LCAO-LSD calculations

1997

Surface (mathematics)chemistryLinear combination of atomic orbitalschemistry.chemical_elementElectronic structurePhysical and Theoretical ChemistryAtomic physicsTungstenCondensed Matter PhysicsAtomic and Molecular Physics and OpticsInternational Journal of Quantum Chemistry
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