Engineering macrocyclic high performance pentagonal bipyramidal Dy(iii) single-ion magnets

Abstract

We generate a new air-stablepseudo-D5hDy(iii) Single-Molecule Magnet (Ueff= 1108 K,TB= 14 K) by combining a weak equatorial ligand field from a macrocyclicLN5ligand with a strong axial ligand field. Based on our synthetic blueprint, we useab initiocalculations to show the vast scope for macrocyclic engineering of magnetic anisotropy.