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IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2024-09-12 DOI:10.1016/j.molstruc.2024.140036

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引用次数: 0

摘要

锂（I）基化合物被广泛应用于各个领域，但对其结构特征的探索仍然不足，这阻碍了其功能的进一步开发和应用。因此，探索其结构的复杂性对于释放其全部潜力并为其在不同领域的创新应用铺平道路至关重要。本研究通过水热法合成了四种基于 Li(I) 的金属有机框架 (MOF)，即 [Li4(BNZ)4(H2O)4]n (1)、[Li(HBNZ)]n (2)、[Li(BNZ)(DPRO)]n (3)、[Li2(MBNZ)2(DPRO)2]n (4)、其中 BNZ、HBNZ、MBNZ 和 DPRO 分别指苯甲酸、4-羟基苯甲酸、3-甲氧基苯甲酸和 d-脯氨酸。晶体分析表明，所有这些复合物都是二维层状结构，其中 3 号和 4 号复合物显示出类似波浪状的方格网。1-4 复合物的晶体结构通过一种或多种 NH---O、CH---O、OH---O、CH---π、π-π 相互作用而稳定，这些复合物的分子间相互作用和热稳定性也分别通过 Hirshfeld 表面分析和热重分析进行了分析。此外，这些复合物还显示出很强的光致发光性能和抗菌活性，在材料科学和制药科学领域都具有显著的应用潜力，因此有必要继续开展研究，以实现先进材料设计和应用的范式转变。

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Synthesis, crystal structures, characterizations and antibacterial activities for four lithium(I)-based metal organic frameworks

Lithium(I)-based compounds are extensively utilized across various domains, however, their structural characteristics remain inadequately explored, which has hindered further development and application of their functionalities. Thus, the exploration of their structural intricacies is crucial for unlocking their full potential and paving the way for innovative applications in diverse fields. In this study, four Li(I)-based metal organic frameworks (MOFs), namely, [Li₄(BNZ)₄(H₂O)₄]_n (1), [Li(HBNZ)]_n (2), [Li(BNZ)(DPRO)]_n (3), [Li₂(MBNZ)₂(DPRO)₂]_n (4), are synthesized through hydrothermal method, and structurally characterized by single crystal X-ray diffraction, powder X-ray diffraction, and IR, where BNZ, HBNZ, MBNZ and DPRO are benzoic acid, 4-hydroxybenzoic acid, 3-methoxybenzoic acid and d-proline, respectively. Crystallographic analysis reveals that all these complexes are two-dimensional layered architectures, of which 3 and 4 display a similar wave-like square grids network. The crystal structures of the complexes 1–4 are stabilized by one or more kinds of NH···O, CH···O, OH···O, CH···π, π-π interactions, and the intermolecular interactions and thermal stabilities of these complexes were also analyzed by Hirshfeld surface and thermogravimetric analysis, respectively. Moreover, these complexes show the great photoluminescence properties and antibacterial activities, exhibiting remarkable potential applications in both material and pharmaceutical science, and the necessity for continued research to promise a paradigm shift in the design and application of advanced materials.

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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.