Air-stable four-coordinate cobalt(<scp>ii</scp>) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy
Sandeep K. Gupta, Shashank V. Rao, Serhiy Demeshko, Sebastian Dechert, Eckhard Bill, Mihail Atanasov, Frank Neese, Franc Meyer
Abstract
Magneto-structural correlations for air-stable four-coordinate Co( ii ) complexes reveal the dependence of magnetic properties on the dihedral twist angle and establish valuable design guidelines for achieving high magnetic anisotropy.
Topics & Concepts
Dihedral angleAnisotropyAb initioMagnetic anisotropyMagnetChemistryLigand (biochemistry)CobaltLigand field theoryTwistMagnetic fieldAb initio quantum chemistry methodsSingle chainIonForce field (fiction)CrystallographyComputational chemistryPhysicsMagnetizationInorganic chemistryGeometryOrganic chemistryMathematicsMoleculeQuantum mechanicsHydrogen bondImmunologyBiochemistryReceptorAntibodyBiologyMagnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies