Search results for "Exchange Interactions"

showing 4 items of 14 documents

Magnetism and EPR spectra of the two‐sublattice manganese chain Mn2(EDTA)⋅9H2O

1990

We report on the magnetic behavior and single‐crystal EPR spectra of the chain complex Mn2(EDTA)⋅9H2O characterized by two different alternating sites for the manganese ions. Magnetic susceptibility data are indicative of weak antiferromagnetic exchange interactions between the manganese ions, showing a maximum of about 3 K. This behavior can be accurately described on the basis of a Heisenberg chain model that assumes classical spins, giving J/k=−0.72 K and g=2.0. The EPR spectra are typically low dimensional, with an angular dependence of the linewidth of the type (3 cos2 θ−1)n (n=4/3 or 2). Nevertheless, such a behavior cannot be reproduced from a one‐dimensional model with dipolar broad…

MagnetismEdtaExchange InteractionsGeneral Physics and Astronomychemistry.chemical_elementManganeseMagnetic SusceptibilityElectron Spin ResonanceIonlaw.inventionlaw:FÍSICA [UNESCO]AntiferromagnetismHydratesElectron paramagnetic resonanceLine WidthsCondensed matter physicsSpinsUNESCO::FÍSICAManganese ComplexesMagnetic susceptibilityOne−Dimensional CalculationsDipoleElectron Spin Resonance ; Manganese Complexes ; Edta ; Exchange Interactions ; Magnetic Susceptibility ; Line Widths ; One−Dimensional Calculations ; HydrateschemistryCondensed Matter::Strongly Correlated Electrons
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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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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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Ferromagnetic kinetic exchange interaction in magnetic insulators

2020

The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms/groups. Here we show that explicit consideration of magnetic and (leading) bridging orbitals, together with the electron transfer between the former, reveals a strong ferromagnetic kinetic exchange contribution. First principle calculations show that it is comparable in strength with antiferromagnetic superexchange in a number of magnetic materials with diamagnetic metal bridges. In particular, it is responsible for a very large ferromagnetic coupling ($-10$ meV) between the iron ions in a Fe$^{3+}$-Co$^{…

Work (thermodynamics)magneettiset ominaisuudetMaterials scienceelectronic-structurePhysics MultidisciplinaryFOS: Physical sciencesmagnetic couplingelektronitmagneettikentätKinetic energyteoriatORBITAL PHYSICSCondensed Matter - Strongly Correlated ElectronsCondensed Matter::Materials ScienceANTIFERROMAGNETISMHUBBARD-MODELPhysics - Chemical PhysicsSUPEREXCHANGE INTERACTIONSdensity functional theoryChemical Physics (physics.chem-ph)Condensed Matter - Materials SciencecomplexesScience & TechnologyStrongly Correlated Electrons (cond-mat.str-el)Condensed matter physicsCRYSTALmagnetic insulatorsPhysicsSUPERCONDUCTIVITYExchange interactionMaterials Science (cond-mat.mtrl-sci)transitionORDERhubbard-modelsuperexchange interactionsWannier function methodsELECTRONIC-STRUCTUREFerromagnetismPhysical SciencesCondensed Matter::Strongly Correlated ElectronsCOMPLEXESTRANSITION
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