Studies on a novel oxo-vanadium(V) complex of a tridentate ONO Schiff base ligand: Synthesis, characterization, X-ray crystal structure, Hirshfeld surface analysis, biological and catalytic activity

IF 4 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2024-09-03 DOI:10.1016/j.molstruc.2024.139923
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Abstract

This study reports the successful synthesis and characterization of a novel oxovanadium(V) complex, [VO(L)(MeOH)(MeO)], prepared from 2-hydroxy-3-methoxybenzaldehyde and 2-methyl-3-aminoquinazoline. To elucidate the structure of the complex, we employed comprehensive characterization techniques such as CHN analysis, molar conductivity measurements, FT-IR, 1H NMR, UV-Vis spectroscopy, and single-crystal X-ray diffraction. The X-ray analysis confirmed an octahedral geometry around the V(V) center, coordinated with donor atoms from the deprotonated Schiff base ligand, an oxido group, a methanol molecule, and a methoxy group. Hirshfeld surface analysis was employed to evaluate intermolecular interactions.

Furthermore, the complex exhibited impressively efficient catalytic activity in glucose oxidation under mild conditions (aqueous solution, room temperature, O2 oxidant), achieving a conversion rate of 98 %. Additionally, the antibacterial activity of the ligand and complex against various bacterial strains, including Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, and Bacillus cereus, was evaluated. The results demonstrated promising antibacterial potential of the [VO(L)(MeOH)(MeO)] complex, particularly against E. coli, P. aeruginosa, and B. cereus. These findings suggest potential applications of this new oxovanadium(V) complex in both catalysis and antibacterial treatments.

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三叉ONO席夫碱配体的新型氧化钒(V)配合物研究:合成、表征、X 射线晶体结构、Hirshfeld 表面分析、生物和催化活性
本研究报告成功合成并表征了一种新型氧钒(V)配合物[VO(L)(MeOH)(MeO)],该配合物由 2-羟基-3-甲氧基苯甲醛和 2-甲基-3-氨基喹唑啉制备而成。为了阐明该复合物的结构,我们采用了全面的表征技术,如 CHN 分析、摩尔电导率测量、傅立叶变换红外光谱、1H NMR、紫外可见光谱和单晶 X 射线衍射。X 射线分析证实,V(V) 中心周围呈八面体几何形状,与来自去质子化希夫碱配体的供体原子、一个氧化基团、一个甲醇分子和一个甲氧基配位。此外,在温和条件下(水溶液、室温、O2 氧化剂),该复合物在葡萄糖氧化过程中表现出令人印象深刻的高效催化活性,转化率高达 98%。此外,还评估了配体和复合物对各种细菌菌株(包括大肠杆菌、金黄色葡萄球菌、绿脓杆菌和蜡样芽孢杆菌)的抗菌活性。结果表明,[VO(L)(MeOH)(MeO)] 复合物具有良好的抗菌潜力,尤其是对大肠杆菌、绿脓杆菌和蜡样芽孢杆菌。这些发现表明,这种新的氧钒(V)复合物在催化和抗菌处理方面都有潜在的应用前景。
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来源期刊
Journal of Molecular Structure
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.
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