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Designing a mononuclear DyIII single-molecule magnet (SMM) by using a N,O,N,O-based multichelating Schiff base ligand and a β-diketonate ligand

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Abstract

Two mononuclear LnIII compounds, in which each LnIII is eight-coordinated, namely [Ln(L)(tmpd)] (Ln = Dy (1) or Er (2)), have been prepared using a multichelating Schiff base ligand N,N′-bis(2-hydroxy-5-methyl-3-formylbenzyl)-N,N′-bis-(pyridin-2-ylmethyl)ethylenediamine (H2L) and a bidentate chelating β-diketonate ligand (tmpd). The local geometry of the LnIII ions in 1 and 2 is close to the D2d symmetry. Notably, magnetic studies reveal that compound 2 displays no slow relaxation of magnetization while compound 1 exhibits single-molecule magnet (SMM) behaviour in the absence of a static magnetic field, with an effective energy barrier (Ueff) of 66.81 cm−1 (96.63 K). To deeply understand their different magnetic behaviours, the magnetic anisotropy of 1 and 2 is systematically studied by ab initio calculations. There was an obvious difference between the first excited state (KD1) and the experimental Ueff in 1 because the QTM within KD0 is not completely prohibited and the residual QTM could lead to a large discrepancy between experimentally-fitted Ueff and ab initio calculated crystal field splitting. No temperature/frequency dependence is recorded in the ac susceptibility of 2 because the ab initio magnetic easy axis of 2 does not lie close to any atom of the first sphere since it tries to avoid any strong electrostatic repulsion. Moreover, the gXY value of KD0 of 2 is larger than that of 1 by three orders of magnitude leading to the probability of stronger QTM within KD0 of 2.

Graphical abstract: Designing a mononuclear DyIII single-molecule magnet (SMM) by using a N,O,N,O-based multichelating Schiff base ligand and a β-diketonate ligand

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Publication details

The article was received on 08 Aug 2018, accepted on 09 Nov 2018 and first published on 21 Nov 2018


Article type: Paper
DOI: 10.1039/C8NJ04019B
Citation: New J. Chem., 2019, Advance Article
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    Designing a mononuclear DyIII single-molecule magnet (SMM) by using a N,O,N,O-based multichelating Schiff base ligand and a β-diketonate ligand

    S. Zhang, W. Mo, B. Yin, X. Lü and J. Zhang, New J. Chem., 2019, Advance Article , DOI: 10.1039/C8NJ04019B

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