Engineering macrocyclic high performance pentagonal bipyramidal Dy( <scp>iii</scp> ) single-ion magnets

Abstract

We generate a new air-stable pseudo-D_5h Dy(iii) Single-Molecule Magnet (U_eff = 1108 K, T_B = 14 K) by combining a weak equatorial ligand field from a macrocyclic L^N5 ligand with a strong axial ligand field. Based on our synthetic blueprint, we use ab initio calculations to show the vast scope for macrocyclic engineering of magnetic anisotropy.