What controls the magnetic anisotropy in heptacoordinate high-spin cobalt(<scp>ii</scp>) complexes? A theoretical perspective
Peter Comba, Gopalan Rajaraman, Arup Sarkar, Gunasekaran Velmurugan
Abstract
A ligand field analysis based on ab initio calculations of a series of pentagonal bipyramidal high-spin cobalt( ii ) complexes shows that subtle changes of the in-plane ligand field can be used to tune the zero-field splitting in this type of complex.
Topics & Concepts
AnisotropyMagnetic anisotropyPentagonal bipyramidal molecular geometryChemistryZero field splittingAb initioSpin (aerodynamics)Field (mathematics)CrystallographySymmetry (geometry)Magnetic momentCrystal field theoryZero (linguistics)Condensed matter physicsMagnetic fieldPhysicsCrystal structureMagnetizationIonGeometryQuantum mechanicsSpin polarizationMathematicsElectronThermodynamicsPhilosophyPure mathematicsLinguisticsOrganic chemistryMagnetism in coordination complexesLanthanide and Transition Metal ComplexesMetal complexes synthesis and properties