Abstract

[Dy (L-Me)(H2O)]CF3SO30.25H(2)O (10.25H(2)O), where H2LMe is the reported ligand 2,2 '-(((pyridine-2,6-diylbis (methylene))bis((pyridin-2-ylmethyl)azanediyl))bis (methylene))bis(4-methylphenol), shows the DyIII ion in an N5O3 environment, with triangular dodecahedral geometry (D-2d symmetry). 10.25H(2)O is a single ion magnet (SIM) with an energy barrier for spin reversal of 510 K, and open hysteresis loops up to 8 K. The magnetostructural comparison of 10.25H(2)O with some closely related complexes and with other eight-coordinated SIMs with high energy barriers (> 300 K) allows to draw some conclusions to enhance the magnetic performance in these nanomagnets with non-purely axial geometries. Ab initio calculations complement and support the experimental results.