Search results for "COORDINATION CHEMISTRY"

showing 10 items of 231 documents

Molybdenum Open-Shell Organometallics. Spin State Changes and Pairing Energy Effects

1997

International audience

EnergySpin states010405 organic chemistrychemistry.chemical_elementGroup 15 compoundsGeneral MedicineGeneral ChemistryLigands010402 general chemistryQuantum mechanics01 natural sciencesMolecular physicsStabilization0104 chemical scienceschemistryMolybdenumPairing[CHIM.COOR]Chemical Sciences/Coordination chemistryOpen shellComputingMilieux_MISCELLANEOUSEnergy (signal processing)Accounts of Chemical Research
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Interaction of half-sandwich alkylmolybdenum(III) complexes with B(C6F5)3. The X-ray structure of [CpMo(η4-C4H6)(μ-Cl)(μ-CH2)(O)MoCp][CH3B(C6F5)3]

2001

Abstract The reactions of the half-sandwich molybdenum(III) complexes CpMo(η 4 -C 4 H 4 R 2 )(CH 3 ) 2 , where Cpη 5 -C 5 H 5 and RH or CH 3 , with equimolar amounts of B(C 6 F 5 ) 3 have been investigated in toluene. EPR monitoring shows the formation of an addition product which does not readily react with Lewis bases such as ethylene, pyridine, or PMe 3 . The analysis of the EPR properties and the X-ray structure of a decomposition product obtained from dichloromethane, [CpMo(η 4 -C 4 H 6 )(μ-Cl)(μ-CH 2 )(O)MoCp][CH 3 B(C 6 F 5 ) 3 ], indicate that the borane attack has occurred at the methyl position.

EthyleneStereochemistrychemistry.chemical_elementBorane010402 general chemistry01 natural sciencesBiochemistryMedicinal chemistrylaw.inventionInorganic Chemistrychemistry.chemical_compoundlawPyridineMaterials Chemistry[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM.COOR]Chemical Sciences/Coordination chemistryLewis acids and basesPhysical and Theoretical ChemistryElectron paramagnetic resonanceDichloromethaneMolybdenumEPR properties010405 organic chemistryOrganic ChemistryTolueneButadiene ligand0104 chemical sciences3. Good healthchemistryHalf-sandwichMolybdenumX-ray structure
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Design of Magnetic Coordination Polymers Built from Polyoxalamide Ligands: A Thirty Year Story

2018

International audience; The aim of this review is to pay tribute to the legacy of O. Kahn. Kahn's credo was to synthesize magnetic compounds with predictable structure and magnetic properties. This is illustrated herein with results obtained by Kahn's group during his Orsay period thirty years ago, but also on the basis of our recent results on the synthesis of coordination polymers with oxamate ligands. The first part of this review is devoted to a short description of the necessary knowledge in physics and theoretical chemistry that Kahn and his group have used to select oxamate ligands, the complex‐as‐ligand strategy and the synthesis of heterobimetallic systems. Then, we describe the st…

Flexibility (engineering)010405 organic chemistryCoordination polymerLigandNanotechnology010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compound[CHIM.POLY]Chemical Sciences/PolymerschemistryChemical physicsMagnetTheoretical chemistryMoleculeMetal-organic framework[CHIM.COOR]Chemical Sciences/Coordination chemistryChirality (chemistry)
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Synthèse et caractérisation de phosphine, borane, amine sur plateforme ferrocène polyfonctionnelle

2016

Ferrocene platforms are useful in coordination chemistry and catalysis thanks to their robustness and versatile functionalization. Ferrocene backbone allows the implantation of several key functional groups in a restricted space, inducing close proximity and potential polyfunctional cooperation (see for instance ferrocenyl polyphosphine chemistry). Ansa ferrocene and ferrocene bearing conformational control inducing groups maximizing the proximity of key groups have been widely reported.The first part of this thesis focuses on the synthesis of new borylated cyclopentadienyl, and their use in formation of borylated metallocenes bearing conformational constraints. NMR analysis and DFT calcula…

Frustrated Lewis pairAmbiphilic ligandCouplage de spinPhosphorusPaire frustrée de Lewis[CHIM.COOR] Chemical Sciences/Coordination chemistryCyclopentadiénureCyclopentadienideBorePhosphore[CHIM.COOR]Chemical Sciences/Coordination chemistryFerroceneNon-bonded spin couplingLigand ambiphileAmineCyclopentadieneBoronMetallocene
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Conjugated Porphyrin Dimers: Cooperative Effects and Electronic Communication in Supramolecular Ensembles with C60

2016

International audience; Two new conjugated porphyrin-based systems (dimers 3 and 4) endowed with suitable crown ethers have been synthesized as receptors for a fullerene-ammonium salt derivative (1). Association constants in solution have been determined by UV–vis titration experiments in CH2Cl2 at room temperature. The designed hosts are able to associate up to two fullerene-based guest molecules and present association constants as high as ∼5 × 108 M–1. Calculation of the allosteric cooperative factor α for supramolecular complexes [3·12] and [4·12] showed a negative cooperative effect in both cases. The interactions accounting for the formation of the associates are based, first, on the …

Fullerene010405 organic chemistryStereochemistrySupramolecular chemistryQuímica orgánicaEtherGeneral ChemistryConjugated system010402 general chemistry01 natural sciencesBiochemistryPorphyrinCatalysis3. Good health0104 chemical scienceschemistry.chemical_compoundCrystallographyColloid and Surface ChemistrychemistryMoleculeTitration[CHIM.COOR]Chemical Sciences/Coordination chemistryDerivative (chemistry)
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Metal-atom impact on the self-assembly of cup-and-ball metalloporphyrin–fullerene conjugates

2014

International audience; A fullerene ammonium derivative has been combined with different metalloporphyrin–crown ether receptors to generate very stable supramolecules. The combination of fullerene–porphyrin and ammonium–crown ether interactions leads to a strong chelate effect as evidenced by a high effective molarity (3.16 M). The different parameters influencing the stability of the supramolecular ensembles, in particular the nature of the metal in the porphyrin moiety, have been rationalized with the help of theoretical calculations thus providing new insights into fullerene–porphyrin interactions.

FullereneMolecular model010405 organic chemistrySupramolecular chemistryQuímica orgánicaEtherGeneral ChemistryGeneral Medicine010402 general chemistryPorphyrin01 natural sciencesCatalysis0104 chemical sciencesMetalchemistry.chemical_compoundchemistryComputational chemistryvisual_artEffective molarityvisual_art.visual_art_mediumMoietyOrganic chemistry[CHIM.COOR]Chemical Sciences/Coordination chemistry
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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…

General Chemical EngineeringAnalytical chemistryInfrared spectroscopy02 engineering and technology010402 general chemistryElectrochemistry01 natural scienceschemistry.chemical_compoundTransition metalX-ray photoelectron spectroscopy[CHIM.ANAL]Chemical Sciences/Analytical chemistryelectroactive materialsElectrochemistryMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryconducting polymermagnesium porphineConductive polymer[CHIM.ORGA]Chemical Sciences/Organic chemistryelectropolymerization[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnology0104 chemical sciencesMonomerchemistryPhysical chemistryC-C coupling0210 nano-technologyunsubstituted porphyrinElectrode potentialElectrochimica Acta
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Cobalt complex based on cyclam for reversible binding of nitric oxide

2008

We report the synthesis and theoretical calculations of nitrosyl cobalt complexes based on saturated tetraazamacrocycle for the reversible binding of nitric oxide (NO). Density-functional theory provides a rigorous theoretical framework for analysing, interpreting and investigating important parameters in order to further tune the properties of these complexes to the target application. We focus on understanding the stability of complexes in methanol solution as well as their reactivity and stability evolution in the presence of NO, O2 and higher nitrogen oxides intermediates. Calculations have been used to explore appropriate combinations of different macrocycles, metal centres and ligands…

General Chemical EngineeringInorganic chemistryInfrared spectroscopychemistry.chemical_element010402 general chemistry01 natural sciencesNitric oxideCoordination complexMetalchemistry.chemical_compoundComputational chemistrynitric oxideCyclamGeneral Materials ScienceReactivity (chemistry)[CHIM.COOR]Chemical Sciences/Coordination chemistryinfrared spectroscopyComputingMilieux_MISCELLANEOUSchemistry.chemical_classification010405 organic chemistry[ CHIM.COOR ] Chemical Sciences/Coordination chemistryGeneral Chemistrycobalt complexesCondensed Matter Physics0104 chemical sciencesmolecular modellingchemistryModeling and Simulationvisual_artvisual_art.visual_art_mediumcoordination chemistryMethanolCobaltInformation Systems
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Carbon dioxide conversion to dimethyl carbonate: The effect of silica as support for SnO2 and ZrO2 catalysts

2011

International audience; Abundant in nature, CO2 poses few health hazards and consequently is a promising alternative to phosgene feedstock according with the principles of Green Chemistry and Engineering. The synthesis organic carbonates from CO2 instead of phosgene is highly challenging as CO2 is much less reactive. As part of our ongoing research on the investigation of catalysts for dimethyl carbonate (DMC) synthesis from methanol and CO2, we herein report results aimed at comparing the catalytic behavior of new SnO2-based catalysts with that of ZrO2. Silica-supported SnO2 and ZrO2 exhibit turnover numbers which are an order of magnitude higher than those of the unsupported oxides. Tin-b…

Green chemistryZirconiumCarbon dioxide fixation010405 organic chemistryGeneral Chemical EngineeringSupported catalystschemistry.chemical_elementGeneral Chemistry010402 general chemistryHeterogeneous catalysis01 natural sciences0104 chemical sciencesCatalysischemistry.chemical_compoundchemistryTinOrganic chemistry[CHIM.COOR]Chemical Sciences/Coordination chemistrySustainable chemistryZirconiumMethanolDimethyl carbonatePhosgeneTinComptes Rendus Chimie
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First donor stabilized-phosphenium rhodium complexes

2008

Abstract The coordination properties of a donor stabilized-phosphenium adduct have been examined in rhodium chemistry. The preparation as well as the characterization of the first examples of donor stabilized-phosphenium rhodium(I) complexes is reported in this paper. Indeed, mono- and di-cationic rhodium complexes were obtained in quantitative yield by the direct addition of this imidazolium P(III)-ligand to [RhCl(1,5-COD)] 2 in CH 2 Cl 2 solution with a 1:1 P/Rh ratio under argon and 2:1 P/Rh ratio under CO atmosphere, respectively. Crystal structure of the bis-cationic donor stabilized-phosphenium rhodium(I) complex has been obtained from an acetone/pentane mixture. Its molecular structu…

Halidechemistry.chemical_elementCrystal structure010402 general chemistryPhotochemistry01 natural sciencesAdductRhodiumInorganic Chemistrychemistry.chemical_compounddonor–acceptor ligandPolymer chemistryMaterials ChemistryMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryphospheniumPhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUS010405 organic chemistryChemistry[ CHIM.COOR ] Chemical Sciences/Coordination chemistryphosphine3. Good health0104 chemical sciencesPentaneYield (chemistry)rhodiumelectronic propertiesPhosphine
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