Using bridging ligands to regulate pyrazole carboxylic acid coordination polymers: Investigating crystal structure and electrochemiluminescence properties

IF 4.7 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2025-10-02 DOI:10.1016/j.molstruc.2025.144234

Yun-Hua Jiang , Chao Feng , Dao-Hang Du , Wen-Juan Sun , Jia Yang , Shi-Hong Zhu , Ting Tao , Shu-Li Yu , Hong Zhao , Guo-Ning Zhang , Yu-Cheng Wang

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Abstract

In this study, we synthesized two novel coordination molecular complexes, Ni(HL)₂(H₂O)₂ (1) and Cu(HL)₂(H₂O)₂ (2), using 5-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid (H₂L) as the primary ligand. Structural extension using 4,4′-bipyridine linker resulted in two new complexes: [Ni(HL)₂(4,4′-bipy)]ₙ (3) and [Cu₃(L)₂(4,4′-bipy)]ₙ (4). The four crystalline materials were studied by single-crystal and powder X-ray diffraction methods. Hirshfeld surface analysis showed that hydrogen bonds dominate in the supramolecular packing. Remarkably, complexes 3 and 4 exhibited emergent electrochemiluminescence (ECL) in DMSO solutions, with complex 4 achieving high-intensity emission albeit with signal attenuation, while complex 3 demonstrated baseline stability.

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用桥接配体调节吡唑羧酸配位聚合物：晶体结构和电化学发光性质的研究

本研究以5-（4-甲基苯基）- 1h -吡唑-3-羧酸（H2L）为一级配体，合成了Ni(HL) 2 (H₂O) 2(1)和Cu(HL) 2 (H₂O) 2(2)两种新型配位分子配合物。利用4,4′-联吡啶连接剂进行结构扩展，得到了两个新的配合物：[Ni（HL）₂（4,4′-bipy）]和[Cu₃(L)₂（4,4′-bipy）]。采用单晶和粉末x射线衍射方法对这四种晶体材料进行了研究。Hirshfeld表面分析表明，氢键在超分子填料中占主导地位。值得注意的是，配合物3和4在DMSO溶液中表现出紧急电化学发光（ECL），配合物4在信号衰减的情况下实现了高强度发射，而配合物3则表现出基线稳定性。

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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.