1. Synergy of Magnetic Anisotropy and Ferromagnetic Interaction Triggering a Dimeric Cr(II) Zero-Field Single-Molecule Magnet.
- Author
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Li Y, Zeng Z, Guo Y, Liu X, Zhang YQ, Ouyang Z, Wang Z, Liu X, and Zheng YZ
- Abstract
A novel Cr
II -dimeric complex, [CrII N(Sii Pr3 )2 (μ-Cl)(THF)]2 ( 1 ), has been successfully constructed using a bulky silyl-amide ligand. Single-crystal structure analysis reveals that complex 1 exhibits a binuclear motif, with a Cr2 Cl2 rhombus core, where two equivalent tetra-coordinate CrII centers in the centrosymmetric unit display quasi-square planar geometry. The crystal structure has been well simulated and explored by density functional theory calculations. The axial zero-field splitting parameter ( D < 0) with a small rhombic ( E ) value is unambiguously determined by systematic investigations of magnetic measurements, high-frequency electron paramagnetic resonance spectroscopy, and ab initio calculations. Remarkably, ac magnetic susceptibility data unveil that 1 features slow dynamic magnetic relaxation typical of single-molecule magnet behavior with Ueff = 22 K in the absence of a dc field. This increases up to 35 K under a corresponding static field. Moreover, magnetic studies and theoretical calculations point out that a non-negligible ferromagnetic coupling (FMC) exists in the dimeric Cr-Cr units of 1 . The coexistence of magnetic anisotropy and FMC contributes to the first case of CrII -based single-molecule magnets (SMMs) under zero dc field.- Published
- 2023
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