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具有五角双锥几何构型的同双核镝(III)配合物中的慢磁弛豫

Slow magnetic relaxation in a homo dinuclear Dy(iii) complex in a pentagonal bipyramidal geometry.

作者信息

Acharya Joydev, Ahmed Naushad, Flores Gonzalez Jessica, Kumar Pawan, Cador Olivier, Singh Saurabh Kumar, Pointillart Fabrice, Chandrasekhar Vadapalli

机构信息

Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur-208016, India.

出版信息

Dalton Trans. 2020 Oct 7;49(37):13110-13122. doi: 10.1039/d0dt02881a. Epub 2020 Sep 15.

Abstract

We hereby report a dinuclear Dy(iii) complex, [Dy(LH)Cl]·2EtO (1) (LH = 2,3-dihydroxybenzylidene)-2-(hydroxyimino)propanehydrazide where both the metal centres are in a pentagonal bipyramidal (PBP) geometry with the axial positions being occupied by negatively charged Cl ions. The complex as well as it's 10% diluted analogue (1) do not show zero-field SMM behaviour. However, in the presence of small optimum dc fields the slow relaxation of magnetization was displayed. The effective energy barrier for 1 at 800 Oe of applied field was extracted as 83(17) K with τ = 2(4) × 10 s. Through a combined experimental and ab initio electronic structure calculations studies we have thoroughly analysed the role of the ligand field around the Dy(iii), present in pentagonal bipyramidal geometry, in contributing to the slow relaxation of magnetization.

摘要

我们在此报告一种双核Dy(iii)配合物,[Dy(LH)Cl]·2EtO (1)(LH = 2,3 - 二羟基亚苄基)-2-(羟基亚氨基)丙烷酰肼,其中两个金属中心均处于五角双锥(PBP)几何构型,轴向位置由带负电荷的Cl离子占据。该配合物及其10%稀释类似物(1)均未表现出零场单分子磁体行为。然而,在存在小的最佳直流场时,显示出磁化强度的缓慢弛豫。在800 Oe的外加场下,1的有效能垒被提取为83(17) K,τ = 2(4)×10 s。通过结合实验和从头算电子结构计算研究,我们深入分析了处于五角双锥几何构型的Dy(iii)周围配体场在促进磁化强度缓慢弛豫方面的作用。

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