A highly anisotropic family of hexagonal bipyramidal Dy(iii) unsaturated 18-crown-6 complexes exceeding the blockade barrier over 2700 K: a computational exploration

Abstract

In the present work, we have explored a series of unsaturated hexa-18-crown-6 (U18C6) ligands towards designing highly anisotropic Dy(III) based single-ion magnets (SIMs) with the general formula [Dy(U18C6)X2]+ (where U18C6...