Phosphonocarboxylates in Mixed-Ligated Approach with Diverse Structural Features (0D to 3D), and Studies of Non-Covalent Interactions for Revealed Proton Conduction.

IF 3.5 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Chemistry - An Asian Journal Pub Date : 2025-04-07 DOI:10.1002/asia.202401887

Syed Meheboob Elahi

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引用次数: 0

Abstract

Coordination compounds are an essential group of functional materials with different dimensionalities (0D, 1D, 2D, and 3D) depending on the metal atoms or organic linkers/ligands used. In this study, two different phosphonocarboxylates were combined with 4,4'-bipyridine (bpy) to create mixed-ligated coordination frameworks, resulting in three distinct coordination compounds with different dimensionalities: [Co(H₂O)₄(4,4'-bpy)₂][H₃L1]₂∙10H₂O (1) with 0D, {[Zn(H₂L1)(4,4'-bpy)]·H₂O}_n (2) with 2D, and [Co(H₂O)Co₂(H₂L2)₂(4,4'-bpy)₃]_n (3) with 3D structure. Here, H₄L1 = 5-Phosphonoisophthalic acid, and H₅L2 = 3,5-Diphosphonobenzoic acid. Compound 1 had the most guest water molecules connected to the protonated phosphonate moieties and coordinated water molecules, creating extended hydrogen-bonding interactions among these three structures. Thereby, compound 1 was subjected to proton conductivity (PC) measurement, and revealed a PC value of 0.84 × 10^-4 S cm^-1 at 50 °C and 95% relative humidity (RH). A structural correlation was conducted with the previously reported similar guest-framework system, and a single point energy (with counterpoise = 2, basis set superposition error <0.003%) was calculated for the supramolecular architecture formed by the guest organic moiety and lattice water. Furthermore, non-covalent interactions were checked and compared.

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具有不同结构特征（0D至3D）的混合连接方法的磷酸羧酸盐，以及揭示质子传导的非共价相互作用的研究。

配位化合物是一类重要的功能材料，根据所使用的金属原子或有机连接体/配体的不同，具有不同的维度（0D、1D、2D 和 3D ）。在本研究中，两种不同的膦酰基羧酸盐与 4,4'-联吡啶 (bpy) 结合生成了混合配位框架，从而产生了三种不同维度的配位化合物：[Co(H2O)4(4,4'-bpy)2][H3L1]2∙10H2O（1）为 0D，{[Zn(H2L1)(4,4'-bpy)]-H2O}n（2）为 2D，[Co(H2O)Co2(H2L2)2(4,4'-bpy)3]n（3）为 3D 结构。其中，H4L1 = 5-膦酰基间苯二甲酸，H5L2 = 3,5-二膦酰基苯甲酸。化合物 1 有最多的客体水分子与质子化的膦酸分子和配位水分子相连，从而在这三种结构之间产生了扩展的氢键相互作用。因此，对化合物 1 进行了质子电导率（PC）测量，结果表明在 50 °C 和 95% 相对湿度（RH）条件下，其 PC 值为 0.84 × 10-4 S cm-1。与之前报道的类似客体-框架体系进行了结构相关性分析，发现单点能量（反极 = 2，基集叠加误差

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来源期刊

Chemistry - An Asian Journal 化学-化学综合

CiteScore

7.00

自引率

2.40%

发文量

535

审稿时长

1.3 months

期刊介绍： Chemistry—An Asian Journal is an international high-impact journal for chemistry in its broadest sense. The journal covers all aspects of chemistry from biochemistry through organic and inorganic chemistry to physical chemistry, including interdisciplinary topics. Chemistry—An Asian Journal publishes Full Papers, Communications, and Focus Reviews. A professional editorial team headed by Dr. Theresa Kueckmann and an Editorial Board (headed by Professor Susumu Kitagawa) ensure the highest quality of the peer-review process, the contents and the production of the journal. Chemistry—An Asian Journal is published on behalf of the Asian Chemical Editorial Society (ACES), an association of numerous Asian chemical societies, and supported by the Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society), ChemPubSoc Europe, and the Federation of Asian Chemical Societies (FACS).