Dresden 2026 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 36: Molecular Magnetism and Magnetic Particles / Clusters I

MA 36.12: Vortrag

Mittwoch, 11. März 2026, 18:00–18:15, POT/0151

Suppressing geometric frustration in triangular dysprosium cluster encapsulated in fullerenes — •Matheus Barbosa, Wei Yang, Noel Israel, Fupin Liu, Bernd Büchner, Stanislav Avdoshenko, and Alexey Popov — Leibniz Institute for Solid State and Materials Research, Dresden/Germany

Nitride clusterfullerenes are compounds in which a metallic cluster is encapsulated within a fullerene cage, exhibiting diverse magnetic properties that depend on the composition and geometry of the endohedral cluster. For the case of Dy₃N@C₈₀, the presence of the central nitrogen ion induces a strong uniaxial Ligand Field contribution, locking the magnetic moments of dysprosium centers in a triangular arrangement. Such geometry avoids simultaneous ferromagnetic alignment of the moments between the dysprosium ions, leading to ground state frustration and exhibiting rather efficient spin reorientation through the Quantum Tunneling channel. Their magnetic and geometric frustration is harmful for the Single Molecule Magnetism, resulting in closed hysteresis loops in zero-field and at 2 K. We here report the suppression of this frustration by functionalization of the fullerene cage. The photochemical reaction of Dy₃N@C₈₀ with adamantane aziridine produced the monoadduct Dy₃N@C₈₀-Ad. This additional space inside the fullerene has direct influence on the cluster, elongating the atomic distance in the Dy-N bond towards the modified fragment (breaking the spatial symmetry) and substantially increasing the Dy*Dy coupling constants. As a result, the monoadduct Dy₃N@C₈₀-Ad exhibits suppression of the geometric frustration and enhanced Single Molecule Magnetism.

Keywords: Geometric frustration; Single-Molecule Magnet; Exchange interactions; Metallofullerene