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- Title
Weak Ligand-Field Effect from Ancillary Ligands on Enhancing Single-Ion Magnet Performance.
- Authors
Meng, Yin‐Shan; Zhang, Yi‐Quan; Wang, Zhe‐Ming; Wang, Bing‐Wu; Gao, Song
- Abstract
A series of bis-pentamethylcyclopentadienyl-supported Dy complexes containing different ancillary ligands were synthesized and characterized. Magnetic studies showed that 1 Dy [Cp*2DyCl(THF)], 1 Dy' [Cp*2DyCl2K(THF)] n, 2 Dy [Cp*2DyBr(THF)], 3 Dy [Cp*2DyI(THF)] and 4 Dy [Cp*2DyTp] (Tp=hydrotris(1-pyrazolyl)borate) were single-ion magnets (SIMs). The 1D dysprosium chain 1 Dy' exhibited a hysteresis at up to 5 K. Furthermore, 3 Dy featured the highest energy barrier (419 cm−1) among the complexes. The effects of ancillary ligands on single-ion magnetic properties were studied by experimental, ab initio calculations and electrostatic analysis methods in detail. These results demonstrated that the QTM rate was strongly dependent on the ancillary ligands and that a weak equatorial ligand field could be beneficial for constructing Dy-SIMs.
- Subjects
AB initio quantum chemistry methods; MAGNETIC anisotropy; MAGNETIC properties; IONS; MAGNETS
- Publication
Chemistry - A European Journal, 2016, Vol 22, Issue 36, p12724
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.201601934