Fondo Busto, María MatildeOreiro-Martínez, PaulaCorredoira Vázquez, JulioGarcía Deibe, Ana MaríaSanmartín Matalobos, JesúsAravena, Daniel2024-11-182024-11-182024Fondo, M., Oreiro-Martínez, P., Corredoira-Vázquez, J., García-Deibe, A., Sanmartín-Matalobos, J. and Aravena, D. (2024), Modulating Magnetic Performance in DyIII Single Ion Magnets With N5O2 Ligands. Appl Organomet Chem, 38: e7684. https://doi.org/10.1002/aoc.7684https://hdl.handle.net/10347/37722[Dy (LMe)(H2O)]CF3SO3·0.25H2O (1·0.25H2O), 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 (D2d symmetry). 1·0.25H2O 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 1·0.25H2O 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.eng© 2024 The Author(s). Applied Organometallic Chemistry published by John Wiley & Sons Ltd. This is an open access article under the terms of the Creative Commons Attribution-NonCommercial License, which permits use, distribution and reproduction in any medium, provided theoriginal work is properly cited and is not used for commercial purposes.Attribution-NonCommercial 4.0 Internationalhttp://creativecommons.org/licenses/by-nc/4.0/DysprosiumN5O2 ligandSingle ion magnetTriangular dodecahedral geometryjournal article10.1002/aoc.76841099-0739open access