Understanding the magnetic anisotropy for linear sandwich [Er(COT)]<sup>+</sup>-based compounds: a theoretical investigation
Man-Man Ding, Tao Shang, Rui Hu, Yi‐Quan Zhang
Abstract
High axial symmetry is also preferable for prolate shaped Er III to behave as a high-performance SIM. A medium ligand ring of benzene is preferable for prolate shaped Er III ion, which can induce the modest energy splitting and the small TA-QTM.
Topics & Concepts
AnisotropyTransversal (combinatorics)Ab initioIonMagnetic anisotropyMagnetizationQuantum tunnellingChemistryCondensed matter physicsField (mathematics)Ab initio quantum chemistry methodsMolecular physicsCrystallographyMagnetic fieldMoleculePhysicsPure mathematicsMathematical analysisQuantum mechanicsOrganic chemistryMathematicsMagnetism in coordination complexesLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications