Search results for "Magnetics"

showing 10 items of 201 documents

Structural and magnetic characterization of a 1D chain of [Co(II)2(mu-aqua)(mu-carboxylate)2] strung cores.

2009

A novel 1D chain built up from stringing of [Co2(μ-OH 2)(μ-O2CC(CH3)3)2] units with the bridging 2,2′-bipyrimidine ligand has been synthesized and structurally characterized. The chains are well isolated from each other by the bulky tert-butyl groups of the carboxlyates and show an alternating zigzag configuration for the Co(II) metallic centres. DC magnetic measurements show anti-ferromagnetic coupling, Jca.-3 cm-1 between adjacent Co(II) ions along the chain. Noticeably, good data fitting was obtained by means of simple models that neglect any kind of first order orbital contribution to the spin ground state, which is normally observed in Co(II) complexes. These results were further confi…

Models MolecularField dependenceCrystal structureCrystallography X-RayLigandsIonInorganic ChemistryMetalMagnetizationchemistry.chemical_compoundMagneticsComputational chemistryOrganometallic CompoundsCRYSTAL-STRUCTUREComputer SimulationCarboxylateChemistryOtras Ciencias QuímicasCiencias QuímicasSINGLE-MOLECULE MAGNETSCrystallographyPyrimidinesZigzagModels Chemicalvisual_artvisual_art.visual_art_mediumQuantum TheoryGround stateCOORDINATION POLYMERSX-RAY-STRUCTURECIENCIAS NATURALES Y EXACTASDalton transactions (Cambridge, England : 2003)
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Imidazolate bridged Cu(II)-Cu(II) and Cu(II)-Zn(II) complexes of a terpyridinophane azamacrocycle: a solution and solid state study.

2007

The dinuclear Cu2+ and Zn2+ as well as the mixed Cu2+-Zn2+ complexes of a 5,5''-pentaazaterpyridinophane ligand (L) are able to incorporate imidazolate (Im-) as a bridging ligand. The crystal structure of [Cu(2)L(Im)(Br)(H2O)](CF(3)SO(3))(2).3H2O (1) shows one copper coordinated by the three pyridine nitrogens of the terpyridine unit, one nitrogen of the imidazolate bridge (Im-) and one bromide anion occupying the axial position of a distorted square pyramid. The second copper atom is coordinated by the remaining imidazolate nitrogen, the three secondary nitrogens at the centre of the polyamine bridge and one water molecule that occupies the axial position. Magnetic measurements have been p…

Models MolecularMacrocyclic CompoundsMagnetic Resonance SpectroscopyPyridinesInorganic chemistrychemistry.chemical_elementCrystal structureCrystallography X-RayLigandsInorganic Chemistrychemistry.chemical_compoundMagneticsImidazolateElectrochemistryOrganometallic CompoundsImidazoleAza CompoundsMolecular StructureChemistryLigandSuperoxide DismutaseImidazolesTemperatureBridging ligandHydrogen-Ion ConcentrationCopperEnzyme ActivationSolutionsCrystallographyZincStability constants of complexesTerpyridineCopperDalton transactions (Cambridge, England : 2003)
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A chirality-induced alpha phase and a novel molecular magnetic metal in the BEDT-TTF/tris(croconate)ferrate(iii) hybrid molecular system

2006

The novel paramagnetic and chiral anion [Fe(C5O5)3]32 has been combined with the organic donor BEDT-TTF (= ET = bis(ethylenedithio)tetrathiafulvalene) to yield the first chirality- induced α phase and a paramagnetic metal. Gomez Garcia, Carlos, Carlos.Gomez@uv.es ; Coronado Miralles, Eugenio, Eugenio.Coronado@uv.es ; Gimenez Saiz, Carlos, Carlos.Gimenez@uv.es

Models MolecularMagnetic metalUNESCO::QUÍMICAIronInorganic chemistryMolecular ConformationCyclopentanesCrystallography X-RayFerric Compounds:QUÍMICA [UNESCO]CatalysisIonMetalMagneticsParamagnetismchemistry.chemical_compoundPhase (matter)Materials ChemistryMoleculeSulfhydryl CompoundsNovelOrganicMolecular StructureChemistryUNESCO::QUÍMICA::Química analíticaTemperatureMetals and AlloysGeneral ChemistrySurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsParamagneticCrystallographyvisual_artYield (chemistry)Paramagnetic ; Organic ; Magnetic metal ; Novel:QUÍMICA::Química analítica [UNESCO]Ceramics and Compositesvisual_art.visual_art_mediumChirality (chemistry)TetrathiafulvaleneChem. Commun.
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Polycationic Mn12Single-Molecule Magnets as Electron Reservoirs withS>10 Ground States

2004

Models MolecularManganesePolymersChemistryInorganic chemistryTemperaturechemistry.chemical_elementElectronsGeneral ChemistryManganeseElectronGeneral MedicineCrystallography X-RayCatalysisMagneticsCationsMagnetOrganometallic CompoundsThermodynamicsMoleculeAngewandte Chemie
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Designing binuclear transition metal complexes: a new example of the versatility of N,N′-bis(2-aminobenzyl)-4,13-diaza-18-crown-6

2005

[Abstract] N,N′-Bis(2-aminobenzyl)-4,13-diaza-18-crown-6 (L) is a versatile receptor able to adapt to the coordinative preferences of different metal cation guests. With first-row transition metal ions, L tends to form binuclear complexes but, depending on the nature of the particular metal ion, the structure of the binuclear complex may be very different. Herein we report a study of the structure and magnetic properties of the corresponding nickel(II) and cobalt(II) complexes. The X-ray crystal structure of the nickel complex (1), with formula [Ni2(L)(CH3CN)4](ClO4)4·CH3CN, shows that this compound presents a symmetric coordination environment with L adopting an anti arrangement. Each Ni(I…

Models MolecularMetal ions in aqueous solutionCoordination numberchemistry.chemical_elementCrystal structureCrystallography X-RayInorganic Chemistrychemistry.chemical_compoundMagneticsMacrocyclic ligandsTransition metalNickelCationsCrown EthersOrganometallic CompoundsCrown ethersAza Compounds18-Crown-6TemperatureBinuclear complexesCobaltCrystallographyNickelchemistryOctahedronCrystal structuresTransition-metal complexesCobalt
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Oxidation of substituted phenols using copper(II) metallatriangles formed through ligand sharing

2014

Reaction of N(2),N(2')-bis-[(1-butyl-benzimidazol-2yl)methyl]biphenyl-2,2'-dicarboxamide (L) with CuX2⋅nH2O in methanol leads to the assembly of four trinuclear Cu(II) complexes with the general formula [Cu3(L)3X3]⋅3X⋅nH2O⋅mMeCN, where X=Cl(-), Br(-), NO3(-) and C6H5COO(-) and n=0-5, m=0-8 (compounds 1-4, respectively). The structure of one of the complex contains three Cu(II) metal ions at the corners of an equilateral triangle. Each of the copper(II) are coordinated through two benzimidazolyl imine N-atoms and two amide carbonyl O-atoms and the apical position is occupied by an anionic nitrate ion, leading to a distorted square pyramidal environment. The magnetic susceptibility data were …

Models MolecularMetal ions in aqueous solutionInorganic chemistryIminechemistry.chemical_elementLigandsMedicinal chemistryAnalytical ChemistryMagneticschemistry.chemical_compoundPhenolsAmidePhenolsInstrumentationSpectroscopyDiamideElectron Spin Resonance SpectroscopyCopperAtomic and Molecular Physics and OpticsSquare pyramidal molecular geometryQuinonechemistryBenzimidazolesOxidation-ReductionPhenoxazineCopperSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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Co(II) chemistry of 2,6-bis(2-pyridylcarbonyl)pyridine: an icosanuclear Co cluster exhibiting superparamagnetic relaxation.

2006

High-nuclearity transition-metal complexes (clusters) are of special interest in chemistry and physics because, both in terms of size and physical properties, they bridge the gap between the microscopic and macroscopic world, and between quantum and classical systems. In terms of size, the smallest classical nanoparticles fabricated today are the same size as the largest metal clusters that are synthesized by bottom-up methods. In terms of physical properties, certain transition-metal clusters exhibit single-molecule magnetism at low temperatures, that is, they retain their magnetization in zero field in a manner analogous to that of classical macroscopic magnets, but at the same time they …

Models MolecularMolecular StructureChemistryMagnetismStereochemistryPyridinesRelaxation (NMR)Electron Spin Resonance SpectroscopyTemperatureStereoisomerismGeneral MedicineGeneral ChemistryCobaltCrystallography X-RayLigandsCatalysisMagnetizationMagneticsChemical physicsCluster (physics)Organometallic CompoundsQuantumQuantum tunnellingSuperparamagnetismQuantum computerAngewandte Chemie (International ed. in English)
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Electronic structure of the ground and excited states of beta-carboline.

2008

Coupled-cluster calculations are used to compute the energy of conversion between the neutral and the zwitterionic forms of beta-carboline. The stability of the different species is discussed in terms of charge separation and aromatic character, which is related to magnetic criteria. By means of a linear response formalism the vertical excitation energies and oscillator strengths of the lowest singlet states of both structures as well as of the cationic species are determined. General agreement of the relative position and intensity of the different peaks with experimental data is achieved, but the overall spectra are slightly displaced because of solvent effects.

Models MolecularMolecular StructureChemistryβ-carbolineSpectrum Analysisground and excited statesAromaticityElectronsElectronic structureelectronic structureMolecular physicsAtomic and Molecular Physics and OpticsSpectral lineMagneticsComputational chemistryAb initio quantum chemistry methodsExcited stateSinglet statePhysical and Theoretical ChemistrySolvent effectsβ-carboline; electronic structure; ground and excited statesExcitationCarbolinesChemphyschem : a European journal of chemical physics and physical chemistry
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Synthesis, structure and magnetic properties of oligometallic systems derived from di- and trinuclear copper(ii) amido-oximate complexes

2008

Three heterometallic complexes [M(H(2)O)(n)][Cu(3)L(2)(H(2)O)] (M = Mn(2+), Co(2+) or Ba(2+)) and one dinuclear compound (CuDien)(CuL{H(2)O}) were prepared by interaction of anionic compounds Cu(3)L(2)(2-) or CuL(2-) with the corresponding cations (H(4)L = 1,9-dicyano-1,9-bis(hydroximino)-3,7-diazanonane-2,8-dione; Dien = 1,5-diamino-3-azapentane). The complexes [M(H(2)O)(n)][Cu(3)L(2)(H(2)O)] have a polymeric structure, formed via oligomerization of Cu(3)L(2)(2-) units and additionally, in the case of the Ba-salt, by binding of Cu(3)L(2)(2-) units through Ba(2+). Antiferromagnetic interactions occur in all the complexes, while for [Co(H(2)O)(6)][Cu(3)L(2)(H(2)O)] there is evidence of some …

Models MolecularMolecular StructureStereochemistryLigandChemistryTemperaturechemistry.chemical_elementCrystallography X-RayLigandsAmidesCopperInorganic ChemistryMagneticsCrystallographyFerromagnetismOximesOrganometallic CompoundsAntiferromagnetismCopperDalton Transactions
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Single-molecule magnetic behavior in a neutral terbium(III) complex of a picolinate-based nitronyl nitroxide free radical

2011

The terdentate anionic picolinate-based nitronyl nitroxide (picNN) free radical forms neutral and robust homoleptic complexes with rare earth-metal ions. The nonacoordinated Tb3+ complex Tb(picNN)3• 6H2O is a single-molecule magnet with an activation energy barrier Δ = 22.8 ± 0.5 K and preexponential factor τ0 = (5.5 ± 1.1) × 10-9 s. It shows magnetic hysteresis below 1 K. © 2011 American Chemical Society.

Models MolecularNitroxide mediated radical polymerizationFree RadicalsMolecular Structurechemistry.chemical_elementTerbiumActivation energyPicolinic acidIron Chelating AgentsMagnetic hysteresisPhotochemistryIonInorganic ChemistryMagneticsCrystallographychemistry.chemical_compoundchemistryOrganometallic CompoundsMoleculeNitric Oxide DonorsPhysical and Theoretical ChemistryHomolepticPicolinic AcidsTerbium
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