Experimental and theoretical insights into two tri- and tetranuclear DyIII SMMs reveal the unusual superiority of triangular dodecahedral DyIII over square antiprismatic DyIII as an SIM centre

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Key Points

The research investigates the magnetic properties of tri- and tetranuclear DyIII complexes and their structural characteristics.
Synthesized various DyIII compounds depending on the solvent used.
Conducted single crystal X-ray diffraction to determine structures.
Performed direct current (dc) and alternating current (ac) magnetic measurements.
Utilized ab initio CASSCF calculations to explore magnetic properties.
Dodecahedral DyIII showed superior magnetic behavior compared to square antiprismatic DyIII.
Single crystal structures confirmed distinct configurations of the DyIII complexes.
Magnetic investigations revealed differences in relaxation behavior between the two geometries.

Experimental and theoretical investigation reveals magnetic superiority of dodecahedral DyIII in SMMs, suggesting unique properties.

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Pramanik et al. (2026) studied this question.

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