Dysprosium‐Radical Based Single‐Molecule Magnet Containing a Seven Coordinate Dy(III) Ion: A System for ab initio Study

Abstract Single–ion magnets (SIMs) possessing a Dy(III) ion have recently attracted huge scientific attention. Herein, we report on a Dy(III)‐radical single–molecule magnet containing a seven‐coordinate Dy(III) ion with an O 3 N 3 Cl donor set. The frequency–dependent slow relaxation of magnetization has been observed below 8 K. DC magnetic studies have shown the presence of weak antiferromagnetic coupling between the Kramers ion (Dy(III), J = 15/2) and the ligand‐centered radical electron ( S = 1/2) which was confirmed by multifunctional CASSCF calculations.