A Zn(II)-based 1D Coordination Polymer with Adsorption Properties and Hirshfeld Surface Analysis

IF 2.1 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Structural Chemistry Pub Date : 2024-06-04 DOI:10.1007/s11224-024-02340-2

Safarov Azamat Rasulovich, Ibragimov Aziz Bakhtiyarovich, Ruzmetov Abror Khamidjanovich, Normamatov Adkhamjon Sadullayevich, Yakubov Yuldosh Yusupboyevich, Abdullaev Ahrorjon Khabibjonovich, Adizov Bobirjon Zamirovich, Eshmetov Izzat Dosimbatovich, Muhammad Nadeem Akhtar, Ibragimov Avazbek Bakhtiyarovich, Ashurov Jamshid Mengnorovich

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Abstract

A polymeric coordination compound [Zn₂₍PABA)₂(H₂O)₂Cl₂]_n (1) (where PABA is para-aminobenzoic acid) has been synthesized and characterized. We examined and explicated the porosity of the compound and employed a low-temperature nitrogen adsorption technique at 77 kelvins. Throughout the experiments, the nitrogen partial pressure ranged from 0.005 to 0.995 P/P⁰, aligning with the nitrogen adsorption and desorption curves. The surface area (SBET) was found to be 1945.72 m²/g with a micropore area of 361.56 m²/g that ensures the material’s ability to effectively adsorb small molecules. The nitrogen adsorption behavior on this compound is not only facilitates a deeper comprehension of its textural and structural attributes but also unveils potential applications, especially in pharmaceutical domains. Additionally, Hirschfeld surface analysis was performed, yielding interatomic interaction percentages on the Hirschfeld surface.

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一种具有吸附特性和 Hirshfeld 表面分析的锌(II)基一维配位聚合物

我们合成了一种聚合物配位化合物[Zn2(PABA)2(H2O)2Cl2]n (1)（其中 PABA 是对氨基苯甲酸），并对其进行了表征。我们研究并解释了该化合物的孔隙率，并在 77 开尔文条件下采用了低温氮吸附技术。在整个实验过程中，氮分压在 0.005 至 0.995 P/P0 之间，与氮吸附和解吸曲线一致。表面积（SBET）为 1945.72 m2/g，微孔面积为 361.56 m2/g，确保了材料有效吸附小分子的能力。该化合物的氮吸附行为不仅有助于深入理解其质地和结构属性，还揭示了其潜在的应用领域，尤其是在制药领域。此外，还进行了赫希菲尔德表面分析，得出了赫希菲尔德表面的原子间相互作用百分比。

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来源期刊

Structural Chemistry 化学-化学综合

CiteScore

3.80

自引率

11.80%

发文量

227

审稿时长

3.7 months

期刊介绍： Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry. We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.