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showing 10 items of 55461 documents

Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density

2016

The symmetry around a Dy ion is recognized to be a crucial parameter dictating magnetization relaxation dynamics. We prepared two similar square-antiprismatic complexes, [Dy(LOMe)2(H2O)2](PF6) (1) and Dy(LOMe)2(NO3) (2), where LOMe = [CpCo{P(O)(O(CH3))2}3], including either two neutral water molecules (1) or an anionic nitrate ligand (2). We demonstrated that in this case relaxation dynamics is dramatically affected by the introduction of a charged ligand, stabilizing the easy axis of magnetization along the nitrate direction. We also showed that the application of either a direct-current field or chemical dilution effectively stops quantum tunneling in the ground state of 2, thereby increa…

010405 organic chemistryChemistryUNESCO::QUÍMICARelaxation (NMR)Charge densitychemistry.chemical_element010402 general chemistry:QUÍMICA [UNESCO]01 natural sciences0104 chemical sciencesIonInorganic ChemistryCrystallographyMagnetic anisotropyMagnetizationNuclear magnetic resonanceDysprosiumMoleculePhysical and Theoretical ChemistryGround state
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Oxotris(oxalate)niobate(V): An oxalate delivery agent in the design of building blocks

2018

This work concerns the oxalate delivery process that occurs when using (NH4)3[NbO(C2O4)3]·6H2O as a suitable oxalate source in the synthesis of two compounds, [Cu(dmphen)(C2O4)(H2O)] (1) and [{Cu(dmphen)(CH3OH)}2(μ-C2O4)](ClO4)2 (2) (dmphen = 2,9-dimethyl-1,10-phenanthroline). {[Fe{HB(pz)3}(CN)2(μ-CN)]2[{Cu(dmphen)}2(μ-C2O4)]}∙xCH3OH (3) (2.0 ≤ x ≤ 2.4) was obtained by reacting 2 and PPh4[Fe{HB(pz)3}(CN)3]∙H2O [ = tetraphenylphosphonium and = tris(pyrazolyl)borate]. Crystal structures of 1–3 have been determined by single-crystal X-ray diffraction experiments: 1 is a mononuclear trigonal bipyramidal copper(II) species, 2 is a centrosymmetric oxalato-bridged dicopper(II) complex, and 3 consi…

010405 organic chemistryChemistrychemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesCopperOxalate0104 chemical scienceschemistry.chemical_compoundCrystallographyTrigonal bipyramidal molecular geometryIntramolecular forceMaterials ChemistryAntiferromagnetismPhysical and Theoretical ChemistryBoronNatural bond orbital
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Synthesis, molecular structures and EPR spectra of the paramagnetic cuboidal clusters with Mo3S4Ga cores

2017

Electron precise [Mo3(l3-S)(l-S)3(diphos)3Br3]Br (diphos = dppe, dmpe) incomplete cuboidal clusters with six cluster skeletal electrons (CSE) were converted into paramagnetic cuboidal [Mo3(GaBr)(l3-S)4- (diphos)3Br3] clusters by treatment with elemental Ga. The new heterobimetallic complexes with nine CSE possess a doublet ground state with the unpaired electron density delocalized over the three molybdenum atoms.

010405 organic chemistryChemistrychemistry.chemical_elementGeneral Chemistry010402 general chemistry01 natural sciencesCatalysisSpectral line0104 chemical scienceslaw.inventionDelocalized electronParamagnetismCrystallographyUnpaired electronlawComputational chemistryMolybdenumMaterials ChemistryCluster (physics)Ground stateElectron paramagnetic resonance
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A cyanide and hydroxo-bridged nanocage: a new generation of coordination clusters.

2013

International audience; Combining serendipitously-formed hydroxo-clusters, [CoII3(OH)(piv)4(L)]+ (where L = MeCN or Hpiv), with assembling cyanide building block, [FeIII(Tp)(CN)3]−, has led to an unprecedented architecture where polymetallic cobalt clusters and blocked tris-cyanide iron complexes define the apexes of a unique magnetic cubic nanocage.

010405 organic chemistryCyanideInorganic chemistryMetals and Alloyschemistry.chemical_elementGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundCrystallographyNanocageschemistryBlock (telecommunications)Materials ChemistryCeramics and Composites[CHIM.COOR]Chemical Sciences/Coordination chemistryCobaltChemical communications (Cambridge, England)
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Synthesis, crystal structures and magnetic properties of picolinate-bridged copper(II) chains

2018

The paper reports the synthesis, crystal structures, and magnetic properties of two copper(II) coordination polymers, Cu2(L1)4 (1) and Cu3(L2)6 (2), based on rigid ethynylene-bridged ditopic ligands containing one picolinate subunit (L1 = 5-(pyridin-3-ylethynyl)picolinate anion; L2 = 5-((4-(methoxycarbonyl)phenyl)ethynyl)picolinate anion). Both 1 and 2 have a chain structure. In 1, the repeating unit in the chain is a doubly bridged picolinate dicopper(II) complex, whereas 2 is built upon trimeric units where the Cu2+ ions are also connected by double picolinate bridges. Both compounds exhibit antiferromagnetic interactions in the solid state. The magnetic properties of 1 and 2 were analyze…

010405 organic chemistryDimerIntermolecular forcechemistry.chemical_elementTrimerCrystal structure010402 general chemistry01 natural sciencesCopper0104 chemical sciencesIonchemistry.chemical_compoundCrystallographychemistryMaterials ChemistryAntiferromagnetismMetal-organic frameworkPhysical and Theoretical Chemistry
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A family of layered chiral porous magnets exhibiting tunable ordering temperatures.

2013

A simple change of the substituents in the bridging ligand allows tuning of the ordering temperatures, Tc, in the new family of layered chiral magnets A[M(II)M(III)(X2An)3]·G (A = [(H3O)(phz)3](+) (phz = phenazine) or NBu4(+); X2An(2-) = C6O4X2(2-) = 2,5-dihydroxy-1,4-benzoquinone derivative dianion, with M(III) = Cr, Fe; M(II) = Mn, Fe, Co, etc.; X = Cl, Br, I, H; G = water or acetone). Depending on the nature of X, an increase in Tc from ca. 5.5 to 6.3, 8.2, and 11.0 K (for X = Cl, Br, I, and H, respectively) is observed in the MnCr derivative. Furthermore, the presence of the chiral cation [(H3O)(phz)3](+), formed by the association of a hydronium ion with three phenazine molecules, lead…

010405 organic chemistryHexagonal crystal systemInorganic chemistryPhenazineBridging ligand010402 general chemistry01 natural sciences3. Good health0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMagnetAcetone[CHIM]Chemical SciencesMoleculePhysical and Theoretical ChemistryPorosityComputingMilieux_MISCELLANEOUSDerivative (chemistry)Inorganic chemistry
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Equipping metallo-supramolecular macrocycles with functional groups: Assemblies of pyridine-substituted urea ligands

2012

A series of di-(m-pyridyl)-urea ligands were prepared and characterized with respect to their conformations by NOESY experiments and crystallography. Methyl substitution in different positions of the pyridine rings provides control over the position of the pyridine N atoms relative to the urea carbonyl group. The ligands were used to self-assemble metallo-supramolecular M(2)L(2) and M(3)L(3) macrocycles which are generated in a finely balanced equilibrium in DMSO and DMF according to DOSY NMR experiments and ESI FTICR mass spectrometry. Again, crystallography was used to characterize the assemblies. Methyl substitution in positions next to the pyridine nitrogen prevents coordination, while …

010405 organic chemistryHydrogen bondChemistryStereochemistrySupramolecular chemistryurea ligands; metallo-supramolecular macrocycles; X-ray structure; hydrogen-bonding010402 general chemistryMass spectrometry01 natural sciencesFourier transform ion cyclotron resonance0104 chemical sciencesInorganic ChemistrySubstituted ureaCrystallographychemistry.chemical_compoundPyridineUreaTwo-dimensional nuclear magnetic resonance spectroscopyta116Dalton Transactions
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Cooperative H-bonds, π⋯π and anion⋯π interactions as driving forces in the construction of novel Cu(II) bis(imidazol-2-yl) supramolecular 3D framewor…

2019

Abstract Two new Cu(II) complexes with bis(2-imidazolyl) based ligands, with the formula [Cu(BIM)2(SCN)2]·2H2O (BIM = bis(2-imidazol-2-yl)methane) and [Cu(HBIMAM)2(OH2)2](BF4)4·2H2O (BIMAM = bis(2-imidazol-2-yl)methylaminomethane) have been synthesized and characterized. Both compounds contain mononuclear entities as molecular building blocks (MBBs); neutral [Cu(BIM)2(SCN)2] in compound 1 and cationic [Cu(HBIMAM)2(OH2)2]4+ in compound 2. The coordination around the metal atoms shows a tetragonally-elongated octahedral geometry (CuN4S2 and CuN4O2 chromophores). The Q-band EPR spectra of both compounds are indicative of an essentially d x 2 - y 2 ground state for copper(II) ions. The analysis…

010405 organic chemistryHydrogen bondChemistrySupramolecular chemistryCrystal structureChromophore010402 general chemistry01 natural sciences0104 chemical scienceslaw.inventionInorganic ChemistryMetalCrystallographylawvisual_artOctahedral molecular geometryMaterials Chemistryvisual_art.visual_art_mediumPhysical and Theoretical ChemistryGround stateElectron paramagnetic resonancePolyhedron
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Synthesis, Structural and Spectroscopic Characterization of Cr III , Fe III , Co III , Ni II and Cu II Complexes with an Asymmetric 1,3,4‐Thiadiazole…

2016

The reaction of the new asymmetric 1,3,4-thiadiazole-based ligand 2-[(5-ethylthio-1,3,4-thiadiazol-2-yl)hydrazonomethyl]phenol (H1ETHP) with various third-row transition metal salts resulted in the formation of six new mononuclear complexes [Cr(ETHP)2]ClO4 (1), [Fe(ETHP)2][FeCl4] (2), [Co(ETHP)(ETHP–H)] (3), [Ni(ETHP)(H1ETHP)]Cl (4), [Ni(ETHP)(H1ETHP)](ClO4) (5), [Ni(ETHP)(H1ETHP)]Br (6), and one tetranuclear complex [Cu2Cl3(ETHP)(H1ETHP)]2 (7). H1ETHP and all complexes have been analyzed by single crystal X-ray diffraction. Structural analysis of 1–6 reveals complexes of the [ML2]n+-type (n = 0,1), in which the mono anionic ligand ETHP coordinates in a tridentate NNO fashion via its imine,…

010405 organic chemistryHydrogen bondLigandStereochemistryImineSupramolecular chemistry010402 general chemistry01 natural sciences0104 chemical scienceslaw.inventionInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryTransition metalTetramerlawMoleculeElectron paramagnetic resonanceEuropean Journal of Inorganic Chemistry
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Triorganotin( iv ) cation-promoted dimethyl carbonate synthesis from CO 2 and methanol: solution and solid-state characterization of an unexpected di…

2018

Two novel C,N-chelated organotin(IV) complexes bearing weakly coordinating carborane moieties were prepared by the reaction of the corresponding C,N-chelated organotin(IV) chloride (i.e. LCNR2SnCl, R = n-Bu (1) and Ph (2); LCN = 2-(N,N-dimethylaminomethyl)phenyl)) with monocarba-closo-dodecaborate silver salt (AgCB11H12; Ag·3). Both products of the metathesis, [LCN(n-Bu)2Sn]+[CB11H12]− (4) and [LCNPh2Sn]+ [CB11H12]− (5), respectively, were characterized by both multinuclear NMR spectroscopy and elemental analysis. The instability of 4 and 5 towards water is discussed. The solid-state structure of LCN(n-Bu)2SnOH·B(C6F5)3 (4a) as a model compound with a Sn–O(H)⋯B linkage is also reported. The…

010405 organic chemistryInfrared spectroscopyGeneral ChemistryNuclear magnetic resonance spectroscopy010402 general chemistryMetathesis01 natural sciencesMedicinal chemistryCatalysis0104 chemical sciencesCatalysischemistry.chemical_compoundchemistryMaterials ChemistryCarborane[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryMethanolDimethyl carbonateStoichiometryComputingMilieux_MISCELLANEOUS
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