Solvent modulated different stacking of cobalt chelates and their molecular magnetic behaviors

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2025-03-15 DOI:10.1016/j.molstruc.2025.142047

Gaoji Wang, Ziyi Jin, Yuxin Chen, Feng Chen, Qiuyun Chen

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Abstract

Three molecular cobalt complexes [CoLCl]Cl•nX (X = methanol (1, n = 4), ethanol (2, n = 3), n-butanol (3, n = 2); L = N,N’,N’’,N’’’-tetra(2‑hydroxy-3‑methoxy-5-methylbenzyl)-1,4,7,10-tetraazacyclododecane) were successfully obtained as blue single crystals. These complexes were characterized by single crystal X-ray diffraction (SC-XRD) and the results reveal that complexes 1–3 bear same cationic [CoLCl]⁺ cores, except the solvent molecules in lattice. Interestingly, 1–3 have different [CoLCl]⁺ stacking due to the decreased number of lattice solvent molecules from 4, 3 to 2, which is derived from the increased size and decreased polarity of methanol, ethanol and n-butanol. Thermogravimetric analyses (TGA) showed the multi-step decompositions of all three complexes, especially the loss of solvent molecules. The temperature dependence of susceptibility χ_MT of 1–3 were also measured and the results suggested that solvent molecules in crystal play a key role to modulate the intermolecular interaction and metal coordination, hence the magnetic properties.

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.