Investigation of magneto-structural correlation based on a series of seven-coordinated β-diketone Dy(iii) single-ion magnets with C2v and C3v local symmetry

Abstract

A series of four β-diketone mononuclear Dy(III) complexes, namely Dy(Hthd)₃(MeOH)·2,5-Py (1), Dy(Hthd)₃(Tppo) (2), Dy(Hthd)₃(PyNO) (3), and Dy(Hthd)₃(4-PyNO) (4) (Hthd = 2,2,6,6-tetramethyl-3,5-heptanedione, 2,5-Py = 2,5-pyridine, Tppo = triphenylphosphine oxide, PyNO = pyridine N-oxide, 4-PyNO = 4-methylpyridine N-oxide), have been isolated by reactions of Hthd, DyCl₃·6H₂O and an auxiliary ligand. X-ray crystallographic analysis revealed that complexes 1–4 are all seven-coordinated mononuclear structures with C_2v or C_3v local symmetry. The magnetic measurements of complexes 1–4 revealed their field-induced single-ion magnet (SIM) behavior, due to mixed low-lying states. The crystal field parameters and orientations of the magnetic easy axes were obtained from simulations of the DC magnetic data and an electrostatic model calculation. The magneto-structural correlation of seven-coordinated Dy(III) SIMs with low-symmetry coordination environments was further discussed.