从铜(II)自旋三角形的EPR光谱模拟交换、超精细和偶极相互作用

IF 2.6 4区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Magnetochemistry Pub Date : 2023-10-06 DOI:10.3390/magnetochemistry9100217

Athanassios K. Boudalis

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引用次数: 0

摘要

利用电子顺磁共振(EPR)研究了基于三核2,4,6-三(二-2-吡啶氨基)-1,3,5-三嗪(二吡啶氨基)配体的一系列CuII3配合物的分子内弱磁相互作用。记录了粉末和冷冻溶液中的X和q波段EPR光谱，并用包含交换、偶极和超精细相互作用的多自旋哈密顿模型解释了q波段光谱。所描述的方法适用于阐明弱分子内相互作用，这些相互作用不适合通过磁化率研究进行分析。

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In One Fell Sweep: Modeling Exchange, Hyperfine and Dipolar Interactions from EPR Spectra of Copper(II) Spin Triangles

The weak intramolecular magnetic interactions within a series of CuII3 complexes based on the trinucleating 2,4,6-tris(di-2-pyridylamino)-1,3,5-triazine (dipyatriz) ligand were investigated via Electron Paramagnetic Resonance (EPR) spectroscopy. X- and Q-band EPR spectroscopy in powders and frozen solutions were recorded and the Q-band spectra were interpreted by a multispin Hamiltonian model comprising exchange, dipolar and hyperfine interactions. The described methodology is suitable for the elucidation of weak intramolecular interactions which are not amenable to analysis via magnetic susceptibility studies.

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来源期刊

Magnetochemistry Chemistry-Chemistry (miscellaneous)

CiteScore

3.90

自引率

11.10%

发文量

145

审稿时长

11 weeks

期刊介绍： Magnetochemistry (ISSN 2312-7481) is a unique international, scientific open access journal on molecular magnetism, the relationship between chemical structure and magnetism and magnetic materials. Magnetochemistry publishes research articles, short communications and reviews. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced.