RT Journal Article T1 Modulating Magnetic Performance in DyIII Single Ion Magnets With N5O2 Ligands A1 Fondo Busto, María Matilde A1 Oreiro-Martínez, Paula A1 Corredoira Vázquez, Julio A1 García Deibe, Ana María A1 Sanmartín Matalobos, Jesús A1 Aravena, Daniel K1 Dysprosium K1 N5O2 ligand K1 Single ion magnet K1 Triangular dodecahedral geometry AB [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. PB Wiley YR 2024 FD 2024 LK https://hdl.handle.net/10347/37722 UL https://hdl.handle.net/10347/37722 LA eng NO Fondo, 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.7684 NO This work was supported by Universidade de Santiago de Compostela (2024-PU027-1). J.C.-V. thanks Xunta de Galicia for his postdoctoral fellowship (ED481B-2022-068). P.O.-M. thanks the Fundación Segundo Gil Dávila for her PhD fellowship. D.A. thanks Fondo Nacional de Desarrollo Científico y Tecnológico (Regular 1210325) for financial support. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). DS Minerva RD 29 abr 2026