Design of Fe<sup>III</sup>–Ln<sup>III</sup> binuclear complexes using compartmental ligands: synthesis, crystal structures, magnetic properties, and <i>ab initio</i> analysis
Alexandru Topor, Dan Liu, Cătălin Maxim, Ghénadie Novitchi, Cyrille Train, Zeid A. ALOthman, Abdullah A. Al‐Kahtani, Liviu Ungur, Le Tuan Anh Ho, Liviu F. Chibotaru, Marius Andruh
Abstract
Rare examples of phenoxido-bridged Fe III –Ln III binuclear complexes are synthesized, and their dynamic and static magnetic properties are rationalized by ab initio calculations.
Topics & Concepts
Ab initioCrystallographyMaterials scienceAb initio quantum chemistry methodsCrystal structureCrystal (programming language)Computational chemistryPhysicsChemistryMoleculeQuantum mechanicsComputer scienceProgramming languageMagnetism in coordination complexesLanthanide and Transition Metal ComplexesMetal-Catalyzed Oxygenation Mechanisms