Investigation on the magnetic relaxation mechanism and the magnetic coupling for a CoIII2CoIIDy single molecule magnet

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Polyhedron Pub Date : 2025-02-15 Epub Date: 2025-01-06 DOI:10.1016/j.poly.2025.117390

Wei-Nan Li , Chun-Fang Yu , Jia-Rong Jiang , Yang Zhou , Yu-Jie Zhu , Xi-Po Zhao , Hui-Sheng Wang

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Abstract

A novel [Co^IICo^III₂Dy(HL)(H₂L)(H₃L)(hmp)₃(NO₃)](NO₃)·3CH₃OH·2H₂O (1, H₄L = 2-(((2-hydroxy-3-methoxyphenyl)methylene)amino)-2-(hydroxymethyl)-1,3-propanediol, Hhmp = 2-pyridinemethanol) complex and its diluted complex (2) were successfully obtained. One Co^II, one Co^III, one Dy^III and four O atoms in 1 formed a cubane missing one vertice, which was further linked with another Co^III by two O atoms from hmp⁻ or HL³⁻ ligand. 1 and 2 both exhibit field-induced single molecule magnet properties, with the effective energy barriers of 85.94 K and 58.03 K, respectively. Together with the theoretical calculations, this study indicated that intramolecular magnetic interactions within 1 can suppress QTM and can enhance SMM performance of 1. Moreover, the critical angle of 109.59° for the Co^II⋯Gd^III pair transformed from ferromagnetic coupling to antiferromagnetic coupling was first determined by DFT calculations.

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CoIII2CoIIDy 单分子磁体的磁弛豫机制和磁耦合研究

成功合成了新型的[CoIICoIII2Dy(HL)(H2L)(H3L)(hmp)3(NO3)]（NO3）·3CH3OH·2H2O （1,h4l = 2-（（2-羟基-3-甲氧基苯基）亚甲基）氨基-2-（羟甲基）-1,3-丙二醇，Hhmp = 2-吡啶乙醇）配合物及其稀释配合物(2)。1中的1个CoII、1个CoIII、1个DyIII和4个O原子形成了一个缺少一个顶点的立方，并通过hmp -或HL3 -配体中的2个O原子与另一个CoIII相连。1和2均表现出场致单分子磁性，有效能垒分别为85.94 K和58.03 K。结合理论计算，本研究表明1分子内的磁相互作用可以抑制QTM，提高1的SMM性能。此外，CoII⋯GdIII对从铁磁耦合转变为反铁磁耦合的临界角为109.59°，首次由DFT计算确定。

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来源期刊

Polyhedron 化学-晶体学

CiteScore

4.90

自引率

7.70%

发文量

515

审稿时长

2 months

期刊介绍： Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.