Novel potassium-boron metal-organic frameworks: Influence of ligand variation on structural and hydrogen storage properties

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2025-04-14 DOI:10.1016/j.molstruc.2025.142379

Demet Ozer , Dursun Ali Köse , Onur Şahin , Nursen Altuntas Oztas

{"title":"Novel potassium-boron metal-organic frameworks: Influence of ligand variation on structural and hydrogen storage properties","authors":"Demet Ozer , Dursun Ali Köse , Onur Şahin , Nursen Altuntas Oztas","doi":"10.1016/j.molstruc.2025.142379","DOIUrl":null,"url":null,"abstract":"<div><div>In this study, two novel potassium-based metal-organic frameworks (MOFs) mediated by boric acid were synthesized via a one-pot self-assembly reaction using terephthalic acid and acetylenedicarboxylic acid as ligands in ethyl acetate. The synthesized compounds were thoroughly characterized using Fourier-transform infrared spectroscopy (FT-IR), powder X-ray diffraction (p-XRD), thermogravimetric analysis (TGA), elemental analysis, and single-crystal X-ray diffraction (sc-XRD). Structural analysis revealed the molecular formulas of the new compounds as C<sub>16</sub>H<sub>18</sub>B<sub>2</sub>K<sub>4</sub>O<sub>16</sub> and C<sub>2</sub>H<sub>3</sub>BKO<sub>5</sub>, respectively. Both compounds exhibited high thermal stability. The Brunauer–Emmett–Teller (BET) surface area measurements indicated values of 2.152 m²/g for the potassium terephthalate-boron complex and 4.468 m²/g for the potassium acetylenedicarboxylate-boron complex. Variations in the ligands influenced the surface area, pore volume, and pore size of the complexes, which, in turn, affected their hydrogen storage capabilities.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1339 ","pages":"Article 142379"},"PeriodicalIF":4.0000,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286025010592","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

Abstract

In this study, two novel potassium-based metal-organic frameworks (MOFs) mediated by boric acid were synthesized via a one-pot self-assembly reaction using terephthalic acid and acetylenedicarboxylic acid as ligands in ethyl acetate. The synthesized compounds were thoroughly characterized using Fourier-transform infrared spectroscopy (FT-IR), powder X-ray diffraction (p-XRD), thermogravimetric analysis (TGA), elemental analysis, and single-crystal X-ray diffraction (sc-XRD). Structural analysis revealed the molecular formulas of the new compounds as C₁₆H₁₈B₂K₄O₁₆ and C₂H₃BKO₅, respectively. Both compounds exhibited high thermal stability. The Brunauer–Emmett–Teller (BET) surface area measurements indicated values of 2.152 m²/g for the potassium terephthalate-boron complex and 4.468 m²/g for the potassium acetylenedicarboxylate-boron complex. Variations in the ligands influenced the surface area, pore volume, and pore size of the complexes, which, in turn, affected their hydrogen storage capabilities.

Abstract Image

查看原文本刊更多论文

新型钾硼金属有机骨架：配体变化对结构和储氢性能的影响

本研究以对苯二甲酸和乙二甲酸为配体，在乙酸乙酯中通过一锅自组装反应合成了硼酸介导的两种新型钾基金属有机骨架（MOFs）。采用傅里叶变换红外光谱（FT-IR）、粉末x射线衍射（p-XRD）、热重分析（TGA）、元素分析和单晶x射线衍射（sc-XRD）对合成的化合物进行了表征。结构分析表明，新化合物的分子式分别为C16H18B2K4O16和C2H3BKO5。两种化合物均表现出较高的热稳定性。brunauer - emmet - teller （BET）表面积测量表明对苯二甲酸钾-硼配合物的表面积值为2.152 m²/g，乙炔二羧酸钾-硼配合物的表面积值为4.468 m²/g。配体的变化影响了配合物的表面积、孔体积和孔径，进而影响了它们的储氢能力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

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.