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showing 10 items of 31868 documents

A rare polymeric azido-bridged copper(II) chain with a pentameric repeating unit: Synthesis, structure and magnetic properties

2013

International audience; The novel polymeric chain copper(II) complex [Cu4(μ-Mesalpn)2(μ1,1,1-N3)2(μ1,1-N3)2Cu]n (1) was prepared by the reaction of Cu(NO3)2·3H2O with Mesalpn in the presence of an excess of NaN3. A single-crystal X-ray diffraction study showed an unusual 1D polymeric chain based on pentanuclear Cu5 units with both μ1,1,1-N3 and μ1,1-N3 bridges, and with three independent Cu(II) ions presenting three different coordination numbers (4, 5 and 6). The magnetic susceptibility data show the presence of dominant anti-ferromagnetic interactions.

010405 organic chemistryChemistryPentanuclearCoordination numberchemistry.chemical_elementSingle-crystal010402 general chemistry01 natural sciencesMagnetic susceptibilityCopper0104 chemical sciences3. Good healthIonInorganic ChemistryCrystallographyChain (algebraic topology)Copper(II) complexMaterials Chemistry[CHIM]Chemical Sciences1D polymeric chainPhysical and Theoretical ChemistrySingle crystal
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Theoretical Investigation of the Low-Energy States of CpMoCl(PMe 3 ) 2 and Their Role in the Spin-Forbidden Addition of N 2 and CO

2003

International audience; A recent computational investigation of Jahn−Teller effects in unsaturated 16-electron d4d6 [CpMLn] complexes (Abu-Hasanayn, F.; Cheong, P.; Oliff, M. Angew. Chem.2002, 41, 2120) highlighted the typical presence of two spin-triplet and two singlet states of competing stability in these complexes and pointed out the necessity to account for more than one electronic state in studies thereof. Consequently, we have reinvestigated the addition of N2 to all the four low-energy states of CpMoCl(PH3)2, a reaction for which previously only one singlet and one triplet state have been considered (Keogh, D. W.; Poli, R. J. Am. Chem. Soc.1997, 119, 2516). The present study was pe…

010405 organic chemistryChemistryState (functional analysis)010402 general chemistry01 natural sciencesQuantum mechanics0104 chemical sciencesElectronic statesAddition reactionsChemical calculations[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryLow energyChemical structureMathematical methodsDensity functional theory[CHIM.COOR]Chemical Sciences/Coordination chemistrySinglet statePhysical and Theoretical ChemistryAtomic physicsTriplet statePhysics::Chemical PhysicsSpin (physics)Ground state
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Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N–H+donor units

2015

International audience; Supramolecular assemblages based on anionic H-acceptors and cationic H-donors have been envisioned to elaborate open frameworks maintained by ionic H-bonds. Combinations of di-anionic chloranilate (CA2-), oxalate (Ox2-), or terephthalate (BDC2-) and trisimidazolium or tetrapyridinium derivatives (three and four N-H+ donors, respectively) yielded five architectures of formulae [(H3TrIB)(CA)1.5[middle dot]2DMF[middle dot]2.5H2O] (1), [(H4Tetrapy)(CA)2[middle dot]3DMF] (2), [(H3TrIB)(HOx)(Ox)[middle dot]5H2O] (3), [(H4Tetrapy)(Ox)2[middle dot]5H2O] (4), and [(H4Tetrapy)(BDC)2(H2O)[middle dot]1DMF[middle dot]3H2O] (5) (with TrIB = 1,3,5-trisimidazolylbenzene and Tetrapy …

010405 organic chemistryChemistryStereochemistryHydrogen bondSupramolecular chemistryCationic polymerizationIonic bondingSorptionGeneral ChemistryCrystal structure010402 general chemistryCondensed Matter Physics01 natural sciencesOxalate0104 chemical sciencesSolventchemistry.chemical_compoundCrystallography[CHIM.COOR]Chemical Sciences/Coordination chemistryGeneral Materials ScienceCrystEngComm
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Half-sandwich complexes of molybdenum-(III), -(IV) and -(V) with P–O and P–N bifunctional ligands Ph2PCH2X (X = 2-oxazolinyl, or C(O)NPh2)

2000

International audience; The reaction of the ligands Ph2PCH2X (X = 2-oxazolinyl, I; or C(O)NPh2, II) with the half-sandwich molybdenum(III) precursors [Mo(η-C5R5)(μ-Cl)2]2 (R = H or Me) has been investigated. Ligand I reacts with both complexes to form the corresponding adducts [Mo(η-C5R5)Cl2(Ph2PCH2C3H4NO)] (R = H, 1; or Me, 2). The reaction between I and [MoCp*Cl4] (Cp* = η-C5Me5) affords [MoCp*Cl4(Ph2PCH2C3H4NO-κ1P)] as a kinetic isomer, which then transforms quantitatively to [MoCp*Cl3(Ph2PCH2C3H4NO-κ2P,N)]+Cl−, 3. Ligand II reacts with [MoCp(μ-Cl)2]2 (Cp = η-C5H5) to afford the adduct [CpMoCl2{Ph2PCH2C(O)NPh2-κ2P,O}], 4, as an equilibrium mixture of two isomers. Longer reaction times in…

010405 organic chemistryChemistryStereochemistryLigandIonic bondingchemistry.chemical_elementGeneral Chemistry010402 general chemistryElectrochemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesAdductchemistry.chemical_compoundMolybdenum[CHIM.COOR]Chemical Sciences/Coordination chemistryDirect reactionBifunctionalSingle crystal
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Aza and cyanobridged tripodal dinuclear copper(II) complexes: Electrochemical studies and structural evidence for an original azacyanocarbanion

2014

International audience; The reactivity of the mononuclear [Cu(TMPA)(L)] n+ complex (TMPA: tris(2-methylpyridine) amine, L: CH3CN, H2O) towards two different bridging species (tetracyanoethylene, 4,40-bipyridine) was investigated. The dinuclear complex [(mu-4,40-bipy)Cu-II(TMPA)(2)](CF3SO3)(4) (1) was synthesised and analysed by Xray diffraction (XRD). Magnetic studies revealed that this derivative displays very weak antiferromagnetic interactions between the two metal centres (2J = -0.69 cm(-1)). Solution studies (EPR spectroscopy and voltammetry) evidenced the lability of the bridged neutral bipyridine ligand in acetonitrile. The reaction of TCNE (TCNE: tetracyanoethylene) with the copper(…

010405 organic chemistryChemistryStereochemistrychemistry.chemical_elementCrystal structureTetracyanoethylene010402 general chemistryElectrochemistry01 natural sciencesCopper0104 chemical scienceslaw.inventionInorganic Chemistrychemistry.chemical_compoundCrystallographyBipyridinelaw[CHIM.ANAL]Chemical Sciences/Analytical chemistryMaterials ChemistryAmine gas treating[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryElectron paramagnetic resonanceAcetonitrile
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Combining Cyanometalates and Coordination Clusters: An Alternative Synthetic Route toward Original Molecular Materials

2013

International audience; With the discovery of molecules or molecule-based compounds that can display blocked magnetization, magnetic ordering or switchable magnetic bistability, the research efforts devoted to molecular magnetic materials have considerably increased over the past two decades, fully exploiting the advantages of the bottom-up approach. 1-4 This research field focuses on promising properties for potential technological applications such as information storage, quantum computing and spintronics at the molecular scale, but it also provides fundamental insights into original quantum phenomena. 5,6 Coordination chemists have developed efficient synthetic tools for the preparation …

010405 organic chemistryChemistryStereochemistrychemistry.chemical_elementGeneral ChemistryTrigonal crystal system010402 general chemistryCondensed Matter Physics01 natural sciencesCopper0104 chemical sciencesCoordination networkCluster (physics)[CHIM]Chemical SciencesGeneral Materials Science[CHIM.COOR]Chemical Sciences/Coordination chemistryMolecular materials
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Halogen bonds in 2,5-dihalopyridine-copper(II) chloride complexes

2018

Ten coordination complexes obtained through a facile reaction between 2,5-dihalopyridines and copper(II) chloride (CuCl2) are characterized using single crystal X-ray diffraction. Two series of dihalopyridine complexes based on 2-chloro-5-X-pyridine and 2-bromo-5-X-pyridine (X = F, Cl, Br and I) were prepared to analyze the C–X2/X5⋯Cl–Cu halogen bonds (XB). The influence of X2- and X5-substituents on the respective interactions was examined by comparing them to the X2/X3⋯Cl–Cu XBs found in mono-substituted halopyridine complexes, (n-X-pyridine)2·CuCl2 (n = 2, 3 and X = Cl, Br and I). Varying the X5-halogens in (2,5-dihalopyridine)2·CuCl2, the C5–X5⋯Cl–Cu XBs follow the order F5 1 and they c…

010405 organic chemistryChemistrySubstituentchemistry.chemical_elementGeneral Chemistrykompleksiyhdisteet010402 general chemistryCondensed Matter Physics01 natural sciencesChlorideCopperchemical bonds0104 chemical scienceschemistry.chemical_compoundCrystallographykemialliset sidoksetHalogenmedicineCopper(II) chlorideGeneral Materials Sciencecoordination complexesPolarization (electrochemistry)Single crystalta116medicine.drugCrystEngComm
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Versatile behavior of conjugated diynes with zirconocene reactive species

2008

Thermal decomposition of Cp2ZrPh2 in the presence of the buta-1,3-diynes RC≡CC≡CR (R = Ph, SiMe3) can lead to seven- or five-membered metallacycles. In both cases a stable benzo-fused seven-membered zirconacyclocumulene arising from a 2-fold insertion of the triple bonds of the dialkyne in the in situ generated zirconocene benzyne is formed. In the case of Me3SiC≡CC≡CSiMe3 a second minor complex is isolated: a 3-alkynyl-substituted zirconaindene arising from a β monoinsertion of one acetylenic function of the conjugated diyne in the zirconocene benzyne. No stable 2-alkynyl-substituted zirconacycle was isolated. This α monoinsertion complex is an intermediate in the exchange of the metalated…

010405 organic chemistryChemistrycycloaddition reactionOrganic ChemistryThermal decomposition[ CHIM.COOR ] Chemical Sciences/Coordination chemistrychemistry.chemical_elementmetalationConjugated system010402 general chemistryTriple bond01 natural sciencesAryne0104 chemical sciencesInorganic ChemistrycyclometalationAntimonyReagentAtomPolymer chemistryMoiety[CHIM.COOR]Chemical Sciences/Coordination chemistryzirconocene- benzyn intermediatePhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUS
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Bis(2-methylbenzimidazole-κN1)copper(I) dichlorocuprate(I)

2004

By using alternating-current electrochemical synthesis, crystals of the copper(I) ionic compound composed of [Cu(C8H8N2)2]+ and [CuCl2]− ions have been obtained and structurally investigated. Both crystallographically independent Cu atoms lie on centres of inversion and exhibit the less-common coordination number 2. A linear arrangement of the metal atoms includes two N atoms of the different organic moieties in the [Cu(2-methyl­benz­imidazole)2]+ cation and two Cl atoms in the case of the inorganic anion.

010405 organic chemistryCoordination numberInorganic chemistrychemistry.chemical_elementGeneral Chemistry010402 general chemistryCondensed Matter PhysicsElectrochemistry01 natural sciencesCopper0104 chemical sciences3. Good healthIonMetalchemistry.chemical_compoundCrystallographychemistryvisual_artvisual_art.visual_art_mediumImidazoleGeneral Materials ScienceCuprateIonic compoundActa Crystallographica Section E Structure Reports Online
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Variable Cooperative Interactions in the Pressure and Thermally Induced Multistep Spin Transition in a Two-Dimensional Iron(II) Coordination Polymer

2020

Two types of experiments conducted to investigate the effect of pressure on the spin crossover (SCO) properties of the 2D Fe(II) coordination polymer formulated {Fe[bipy(ttr)2]}n are reported, namely, (1) magnetic measurements performed at variable temperature and at fixed pressure and (2) visible spectroscopy at variable pressure and fixed temperature. The magnetic experiments carried out under a hydrostatic pressure constraint of 0.04, 0.08, and 0.8 GPa reveal a two-step spin transition behavior. The characteristic critical temperatures of the spin transition are shifted upward in temperature as pressure increases. The slope of the straight-line of the Tc vs P plot, dTc/dP, is 775 K/GPa a…

010405 organic chemistryCoordination polymerHydrostatic pressureSpin transitionElastic energyThermodynamicsFlory–Huggins solution theory010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundUltraviolet visible spectroscopychemistrySpin crossoverLattice (order)Physical and Theoretical ChemistryInorganic Chemistry
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