Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand

Abstract

Structural, magnetic and theoretical studies of three octahedral mononuclear Dy^III 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.