Six-coordinate mononuclear dysprosium(<scp>iii</scp>) single-molecule magnets with the triphenylphosphine oxide ligand
Kuduva R. Vignesh, Dimitris I. Alexandropoulos, Haomiao Xie, Kim R. Dunbar
Abstract
Structural, magnetic and theoretical studies of three octahedral mononuclear DyIII complexes with triphenylphosphine oxide and halide ligands are reported. The Cl- and Br- analogues exhibit SMM behavior with energy barriers of 49.1 K and 70.9 K, respectively under a small dc field. Ab initio calculations were performed, the results of which predict higher energy barriers for iodide containing SMMs.
Topics & Concepts
DysprosiumTriphenylphosphine oxideHalideChemistryTriphenylphosphineCrystallographyLigand (biochemistry)Ab initioMoleculeLigand field theoryOctahedronOxideAb initio quantum chemistry methodsInorganic chemistryIonCrystal structureOrganic chemistryReceptorCatalysisBiochemistryMagnetism in coordination complexesLanthanide and Transition Metal ComplexesOrganic and Molecular Conductors Research