3d–4f magnetic exchange interactions and anisotropy in a series of heterobimetallic vanadium(IV)–lanthanide(III) Schiff base complexes,Dalton Transactions

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3d–4f magnetic exchange interactions and anisotropy in a series of heterobimetallic vanadium(IV)–lanthanide(III) Schiff base complexes
Dalton Transactions ( IF 3.5 ) Pub Date : 2021-08-23 , DOI: 10.1039/d1dt01944a
Kamil Kotrle ₁ , Ivan Nemec ₁ , Jan Moncol ₂ , Erik Čižmár ₃ , Radovan Herchel ₁

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A series of heterobimetallic Ln^III–V^IV compounds [Ln(VO)L(NO₃)₃(H₂O)] (Ln = Gd(1), Tb(2), Dy(3), and Er(4)) assembled by a Schiff base ligand (H₂L = N,N′-bis(1-hydroxy-2-benzylidene-6-methoxy)-1,7-diamino-4-azaheptane) were prepared and studied with experimental and theoretical methods. The single-crystal X-ray analysis revealed the change of the coordination number from 10 found in 1–3 to 9 confirmed in 4. The DC magnetic data were fit with several Hamiltonians to extract the exchange and anisotropy parameters of complexes 1–4. This investigation of magnetic properties was carried out using both DFT and CASSCF theoretical calculations. It was found out that exchange interactions in 1, 3 and 4 are antiferromagnetic, while 2 has ferromagnetic exchange interactions. Moreover, the AC susceptibility measurements revealed the field-induced slow relaxation of magnetization in complexes 2 and 3 which is complicated by the presence of three relaxation channels. Nevertheless, these compounds belong to the first Tb^III–V^IV and Dy^III–V^IV single-molecule magnets in this class of compounds.

中文翻译：

一系列异质双金属钒 (IV)-镧系元素 (III) 席夫碱配合物中的 3d-4f 磁交换相互作用和各向异性

一系列异双金属 Ln ^III –V ^IV化合物 [Ln(VO)L(NO ₃ ) ₃ (H ₂ O)] (Ln = Gd( 1 ), Tb( 2 ), Dy( 3 ), and Er( 4 ) ) 由希夫碱配体 (H ₂ L = N , N '-bis(1-hydroxy-2-benzylidene-6-methoxy)-1,7-diamino-4-azaheptane) 组装，并用实验和理论研究方法。单晶X-射线分析揭示的配位数从10中发现的变化1-3至9中证实4. 直流磁数据与几个哈密顿量拟合，以提取配合物1-4的交换和各向异性参数。使用 DFT 和 CASSCF 理论计算进行了这种磁性研究。据发现，交换相互作用在1，3和4是反铁磁性，而2具有铁磁性交换相互作用。此外，交流磁化率测量结果表明，在复合物2和3 中，磁场引起的磁化缓慢弛豫由于三个弛豫通道的存在而变得复杂。尽管如此，这些化合物属于第一个 Tb ^{III –} V ^IV和 Dy ^III –V ^IV单分子磁体属于此类化合物。

更新日期：2021-09-15

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