Search results for "exchange interaction"

showing 10 items of 80 documents

Synthesis, structure and magnetic characterization of a dinuclear and two mononuclear iron(III) complexes with N,O-donor Schiff base ligands

2018

Abstract One centrosymmetric dinuclear and two mononuclear iron(III) Schiff base complexes, [(µ-OMe)2Fe2(L1)2(N3)2] (1) {HL1 = 2-((2-(dimethylamino)ethylimino)methyl)-6-ethoxyphenol}, [FeL2(OH2)(N3)]·CH3OH (2) {H2L2 = N,N′-bis(3-ethoxysalicylidene)propane-1,3-diamine} and [FeL3(OH2)(NCS)]·2H2O (3) {H2L3 = N,N′-bis(3-methoxysalicylidene)propane-1,3-diamine}, have been synthesized and characterized by elemental analysis and spectral studies. X-ray diffraction analysis was used to determine the structures of all three complexes. Variable temperature (2–300 K) magnetic susceptibility (χ) data of complex 1 show that both iron(III) centres in the complex are in a high spin configuration (S = 5/2)…

Schiff base010405 organic chemistryExchange interaction010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical sciencesInorganic ChemistryMetalCrystallographychemistry.chemical_compoundchemistryvisual_artMaterials Chemistryvisual_art.visual_art_mediumAntiferromagnetismPhysical and Theoretical ChemistryPolyhedron
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One dimensional Mn(III) Schiff-base complex organization through very strong symmetrical H-bond interaction

2016

Abstract We are reporting the structural and magnetic characterization of a Mn(III) mononuclear complex based on a Schiff-base ligand with carboxylate pendant arm. Very strong symmetric H-interaction drives a one dimensional organization of this complex, densely packed through C–H⋯π further interactions. Low temperature magnetic behaviour appears governed by local ion zero field splitting obscuring any possible weak exchange interaction through the symmetric H-bond pathway.

Schiff baseHydrogen bondLigandStereochemistryExchange interaction02 engineering and technologyZero field splitting010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesIonInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMaterials ChemistryCarboxylatePhysical and Theoretical Chemistry0210 nano-technologyInorganica Chimica Acta
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An original 1D Cu–Co heterometallic compound: synthesis, structure and magnetic properties

2006

A novel heterobimetallic system, 1∞[LCuIICoII(NCS)2] (1), was obtained by reacting the neutral mononuclear complex [LCu] with cobalt(II) acetate in the presence of potassium thiocyanate (L is the dianion of the Schiff base resulting from the 2 ∶ 1 condensation of 3-methoxysalicylaldehyde with 1,3-propanediamine). The crystallographic investigation of 1 reveals a one-dimensional alternating zig-zag chain-like structure, made of dinuclear {LCuCo} units linked by thiocyanate bridges. The copper(II) ion is pentacoordinate to the N2O2 donor set of the Schiff base ligand in the basal plane, with the apical position occupied by the sulfur atom. The cobalt ion displays a strongly distorted (4 + 2) …

Schiff baseThiocyanateChemistryLigandExchange interactionInorganic chemistrychemistry.chemical_elementGeneral ChemistryCatalysischemistry.chemical_compoundCrystallographyPotassium thiocyanateOctahedral molecular geometryMaterials ChemistryAntiferromagnetismCobaltNew Journal of Chemistry
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Small clusters with anisotropic antiferromagnetic exchange in a magnetic field

2004

We consider small symmetric clusters of magnetic atoms (spins) with anisotropic exchange interaction between the atoms in a magnetic field at zero temperature. The inclusion of the anisotropy leads to a wealth of different phases as a function of the applied magnetic field. These are not phases in the thermodynamic sense with critical properties but rather physical structures with different arrangements of the spins and hence different symmetries. We study the spatial symmetry of these phases, for the classical and quantum cases. Results are presented mainly for three frustrated systems, the triangle, the tetrahedron and the five-atom ring, which have many interesting features. In the class…

SpinsCondensed matter physicsChemistryMagnetismExchange interactionAntiferromagnetismGeneral Materials ScienceQuantum phasesCondensed Matter PhysicsClassical limitSpin-½Magnetic fieldJournal of Physics: Condensed Matter
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Azide Binding Controlled by Steric Interactions in Second Sphere. Synthesis, Crystal Structure, and Magnetic Properties of [Ni II 2 (L)(μ 1,1 -N 3 )]…

2016

International audience; The dinuclear Ni-II complex [Ni-2(L-2)][ClO4](2) (3) supported by the 28-membered hexaaza-dithiophenolate macro-cycle (L-2)(2-) binds the N-3(-) ion specifically end-on yielding [Ni-2(L-2)(mu(1,1)-N-3)] [ClO4] (7) or [Ni-2(L-2)(mu(1,1)-N-3)][BPh4] (8), while the previously reported complex [Ni2L1(mu(1,3)-N-3)][ClO4] (2) of the 24-membered macrocycle (L-1)(2-) coordinates it in the end-to-end fashion. A comparison of the X-ray structures of 2, 3, and 7 reveals the form-selective binding of complex 3 to be a consequence of its preorganized, channel-like binding pocket, which accommodates the azide anion via repulsive CH center dot center dot center dot pi interactions …

Steric effectsequilibrium-constantsStereochemistrytransition-metal-complexesCrystal structure010402 general chemistry01 natural sciences[ CHIM ] Chemical Sciencessolvation free-energyInorganic Chemistrychemistry.chemical_compoundtetranuclear nickel(ii) complexes[CHIM.CRIS]Chemical Sciences/CristallographyAntiferromagnetismMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistrymu-azidoEquilibrium constantmolecular-structure010405 organic chemistryChemistryLigandni-ii[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryend-to-end0104 chemical sciencesexchange interactionsCrystallographyAzideGround stateorbital interactions[ CHIM.RADIO ] Chemical Sciences/Radiochemistry
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Critical behavior of the surface-layer magnetization at the extraordinary transition in the three-dimensional Ising model.

1990

We have used a vectorized multispin-coding Monte Carlo method to determine the behavior of the surface-layer magnetization ${\mathit{m}}_{1}$ at the bulk transition in a simple-cubic Ising film with strongly enhanced surface coupling, i.e., at the extraordinary transition. In contrast to recent renormalization-group calculations we find no evidence for a discontinuous slope in the temperature dependence of ${\mathit{m}}_{1}$; the data are consistent with a free-energy-like (T-${\mathit{T}}_{\mathit{c}}$${)}^{2\mathrm{\ensuremath{-}}\mathrm{\ensuremath{\alpha}}}$ behavior plus background terms.

Surface (mathematics)PhysicsStatistics::TheoryMagnetizationStatistics::ApplicationsCondensed matter physicsExchange interactionMonte Carlo methodIsing modelSurface layerCoupling (probability)Three dimensional modelPhysical review. B, Condensed matter
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Magnetic nanoparticles between electrodes of tunnel junction: anomalous tunnel conductance

2002

Abstract Magnetic particles of microscopic size can be created in the process of Ni, Fe and Co mechanically controllable break junctions fabrication and trapped between the electrodes by magnetic dipole forces. Tunneling between the protruding nanoparticle and the sample electrode shows clear distinctions from the usual junctions: heavy deviation of the current–distance I(z) dependence from the expected exponential behavior at electrode separations z below 4.0– 4.5 A and on numerous occasions a sudden jump-like decrease of the tunnel current at z≈1.5– 2.0 A . Possible mechanisms behind observed anomalies including the short-range magnetic exchange coupling are discussed.

Tunnel effectMaterials scienceCondensed matter physicsTunnel junctionExchange interactionElectrodeMagnetic nanoparticlesConductanceElectrical and Electronic EngineeringCondensed Matter PhysicsMagnetic dipoleQuantum tunnellingElectronic Optical and Magnetic MaterialsPhysica B: Condensed Matter
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Origin of the Paramagnetic Properties of the Mixed‐Valence Polyoxometalate [GeV 14 O 40 ] 8– Reduced by Two Electrons: Wave Function Theory and Model…

2009

The aim of the work is to give an explanation of the magnetic properties of a mixed-valence [GeV14O40]8– polyoxometalate reduced by two electrons, which, in contrast to what happens in other two-electron-reduced polyoxometalates, does not show any magnetic coupling between the two unpaired electrons. For this purpose, a quantitative evaluation of the microscopic electronic parameters (electron transfer, magnetic coupling, magnetic orbital energy, and Coulomb repulsion) of the mixed-valence polyoxometalate cluster is performed. The parameters are extracted from valence-spectroscopy large configuration interaction (CI) calculations on embedded fragments. Then, these parameters are used in an …

Valence (chemistry)ChemistryExchange interaction02 engineering and technologyElectronConfiguration interaction010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesMolecular physics0104 chemical sciencesInorganic ChemistrySpecific orbital energyParamagnetismUnpaired electronComputational chemistryAb initio quantum chemistry methods0210 nano-technologyEuropean Journal of Inorganic Chemistry
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Mixed‐valence trinuclear manganese clusters : Influence of the electronic transfer on the magnetic properties

1990

The magnetic behavior of mixed‐valence trinuclear clusters d4‐d4‐d5 is discussed on the basis of a model which takes into account valence delocalization and Heisenberg exchange. This model considers the competing effect between the electronic transfer and the localization of the extra electron due to an asymmetry of the triangular entity. The magnetic properties of the mixed‐valence oxo‐centered Mn(II)‐Mn(III)‐Mn(III) complexes formulated as Mn3O(O2CR)6L3 (R=Me, L=pyridine) are discussed on the basis of the developed model, supporting a significant intramolecular electron transfer. A comparison of these results to those previously reported by assuming a valence‐trapped model is given. Carlo…

Valence (chemistry)ChemistryMagnetic Propertiesmedia_common.quotation_subjectUNESCO::FÍSICAExchange InteractionsGeneral Physics and Astronomychemistry.chemical_elementManganeseElectronElectron TransferManganese ComplexesAsymmetryElectron transferCrystallographyDelocalized electronchemistry.chemical_compound:FÍSICA [UNESCO]Intramolecular forcePyridineMixed−Valence CompoundsAtomic ClustersAtomic physicsMixed−Valence Compounds ; Electron Transfer ; Magnetic Properties ; Atomic Clusters ; Manganese Complexes ; Exchange Interactionsmedia_common
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Problem of the magnetic anisotropy in orbitally degenerate exchange and mixed-valence clusters

2003

Abstract This contribution summarizes the results obtained in the problem of orbital degeneracy of the metal ions in exchange coupled and mixed-valence (MV) clusters. The theory of the double exchange is generalized and the orbitally degenerate systems are considered. The orbitally dependent double exchange parameter is deduced for the singlet–triplet and triplet–triplet transition metal pairs in three high-symmetric topologies. A new effective Hamiltonian of the magnetic exchange between the ions with unquenched orbital angular momenta is discussed. The technique of the irreducible tensor operators is applied to the problem of the kinetic exchange in these kind of metal clusters. Strong ma…

Valence (chemistry)Condensed matter physicsChemistryExchange interactionDegenerate energy levelsKinetic energyIonInorganic Chemistrysymbols.namesakeMagnetic anisotropyTransition metalMaterials ChemistrysymbolsCondensed Matter::Strongly Correlated ElectronsPhysical and Theoretical ChemistryHamiltonian (quantum mechanics)Polyhedron
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