Elevating the Performance of Heterometallic 3d/4f SMMs: The Role of Diamagnetic CoIII and ZnII Ions in Magnetization Dynamics

Chemphyschem. 2024 Oct 16;25(20):e202400385. doi: 10.1002/cphc.202400385. Epub 2024 Aug 19.

Abstract

Recent advances in the synthesis of 3d/4f Single-Molecule Magnets (SMMs) have revealed the effective role of incorporating diamagnetic CoIII or ZnII ions to enhance the magnetic properties of LnIII ions. This concept highlights notable examples of CoIII/LnIII and ZnII/LnIII SMMs documented in the recent literature, illustrating how the selection of various peripheral and/or bridging ligands can modulate the magnetic anisotropy of 4f metal ions, thereby increasing their energy barriers.

Keywords: 3d/4f SMMs; ab initio calculations; diamagnetic 3d metal ions; magnetic anisotropy; mulliken charges.

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