Pub Date : 2024-09-04DOI: 10.1016/j.cjsc.2024.100427
Muhammad Riaz, Rakesh Kumar Gupta, Di Sun, Mohammad Azam, Ping Cui
The development of effective adsorbent materials for capturing organic dyes and iodine is crucial to reduce the environmental impact and ensure human health. In this context, a two-dimensional (2D) Co-based metal-organic framework SDU-CP- was rationally designed with 4-(4-carboxyphenyl)-1,2,4-triazole (Hcpt) and 2,4,6-tri(4-pyridinyl)-1,3,5-triazine (tpt) as organic linkers. The SDU-CP- was comprehensively characterized using single-crystal X-ray diffraction analysis, thermogravimetric analysis, fourier transform infrared spectroscopy, raman spectroscopy, powder x-ray diffraction analysis and UV-vis spectroscopy. Molecular docking were conducted to elucidate potential binding sites on SDU-CP- for effective interactions with RhB and ST. Featuring negatively charged surface and trigonal microporous channels, SDU-CP- exhibits excellent adsorption capacities of organic dyes (919.2 mg/g for Rhodamine B and 1565 mg/g for Safranine T) as well as iodine (563.0 mg/g in solution and 1100 mg/g in the vapor phase). The exceptional adsorption performance of SDU-CP- for cationic dyes can be ascribed to the electrostatic interaction facilitated by negatively charged zeta potential and the size-matching principle, whereas the pyridine active sites in channels significantly enhance the binding affinity for iodine. Moreover, SDU-CP- can serve as chromatographic column filters for the rapid adsorption and separation of dyes. The results demonstrate the excellent selective adsorption performance of SDU-CP-, highlighting its potential for environmental and industrial applications.
开发捕捉有机染料和碘的有效吸附材料对于减少环境影响和确保人类健康至关重要。在此背景下，以 4-(4-羧基苯基)-1,2,4-三唑（Hcpt）和 2,4,6-三(4-吡啶基)-1,3,5-三嗪（tpt）为有机连接体，合理设计了一种二维（2D）Co 基金属有机框架 SDU-CP-。使用单晶 X 射线衍射分析、热重分析、傅立叶变换红外光谱、喇曼光谱、粉末 X 射线衍射分析和紫外可见光谱对 SDU-CP- 进行了全面表征。通过分子对接，阐明了 SDU-CP- 与 RhB 和 ST 有效相互作用的潜在结合位点。SDU-CP- 具有带负电荷的表面和三棱形微孔通道，对有机染料（罗丹明 B 为 919.2 毫克/克，莎呋宁 T 为 1565 毫克/克）和碘（溶液中为 563.0 毫克/克，气相中为 1100 毫克/克）具有出色的吸附能力。SDU-CP- 对阳离子染料的优异吸附性能可归因于带负电的 Zeta 电位和尺寸匹配原理所促进的静电相互作用，而通道中的吡啶活性位点则显著增强了对碘的结合亲和力。此外，SDU-CP- 还可用作色谱柱过滤器，用于快速吸附和分离染料。研究结果表明，SDU-CP- 具有出色的选择性吸附性能，在环境和工业应用方面具有巨大潜力。
{"title":"Selective adsorption of organic dyes and iodine by a two-dimensional cobalt(II) metal-organic framework","authors":"Muhammad Riaz, Rakesh Kumar Gupta, Di Sun, Mohammad Azam, Ping Cui","doi":"10.1016/j.cjsc.2024.100427","DOIUrl":"https://doi.org/10.1016/j.cjsc.2024.100427","url":null,"abstract":"The development of effective adsorbent materials for capturing organic dyes and iodine is crucial to reduce the environmental impact and ensure human health. In this context, a two-dimensional (2D) Co-based metal-organic framework SDU-CP- was rationally designed with 4-(4-carboxyphenyl)-1,2,4-triazole (Hcpt) and 2,4,6-tri(4-pyridinyl)-1,3,5-triazine (tpt) as organic linkers. The SDU-CP- was comprehensively characterized using single-crystal X-ray diffraction analysis, thermogravimetric analysis, fourier transform infrared spectroscopy, raman spectroscopy, powder x-ray diffraction analysis and UV-vis spectroscopy. Molecular docking were conducted to elucidate potential binding sites on SDU-CP- for effective interactions with RhB and ST. Featuring negatively charged surface and trigonal microporous channels, SDU-CP- exhibits excellent adsorption capacities of organic dyes (919.2 mg/g for Rhodamine B and 1565 mg/g for Safranine T) as well as iodine (563.0 mg/g in solution and 1100 mg/g in the vapor phase). The exceptional adsorption performance of SDU-CP- for cationic dyes can be ascribed to the electrostatic interaction facilitated by negatively charged zeta potential and the size-matching principle, whereas the pyridine active sites in channels significantly enhance the binding affinity for iodine. Moreover, SDU-CP- can serve as chromatographic column filters for the rapid adsorption and separation of dyes. The results demonstrate the excellent selective adsorption performance of SDU-CP-, highlighting its potential for environmental and industrial applications.","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"8 1","pages":""},"PeriodicalIF":2.2,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142266452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-29DOI: 10.1016/j.cjsc.2024.100426
Zhuoer Cai , Yinan Zhang , Xiu-Ni Hua , Baiwang Sun
In recent years, organic-inorganic hybrid materials are widely designed and synthesized as switching materials for temperature response. However, due to the change of molecular arrangement inside the crystal during solid-solid phase transition, the distortion of crystal lattice and the great change of lattice parameters are often caused, which result in a poor repeatability and short life. Thus, designing phase change materials with small lattice changes helps to improve product life. In this article, a novel organic-inorganic hybrid material 3HDMAPAPbBr4 (1, 3HDMAPA is 3-(hydroxydimethylammonio)propan-1-aminium) was successfully synthesized and characterized. For 1, organic cations filled in the van der Waals gap are connected by hydrogen bonds with halogens in the two-dimensional inorganic layer, forming a stable sandwich structure. During the solid-solid phase transition driven by temperature, the changes of inorganic skeleton are relatively small, and the disorder movement of organic cations does not affect the existence of hydrogen bonds, maintaining a relatively stable crystal structure. In addition, electrical property, optical property and crystal structures are analyzed and discussed in detail. We believe that our work will contribute to the development and application of phase change materials in response materials.
{"title":"Phase transition arising from order-disorder motion in stable layered two-dimensional perovskite","authors":"Zhuoer Cai , Yinan Zhang , Xiu-Ni Hua , Baiwang Sun","doi":"10.1016/j.cjsc.2024.100426","DOIUrl":"10.1016/j.cjsc.2024.100426","url":null,"abstract":"<div><div>In recent years, organic-inorganic hybrid materials are widely designed and synthesized as switching materials for temperature response. However, due to the change of molecular arrangement inside the crystal during solid-solid phase transition, the distortion of crystal lattice and the great change of lattice parameters are often caused, which result in a poor repeatability and short life. Thus, designing phase change materials with small lattice changes helps to improve product life. In this article, a novel organic-inorganic hybrid material 3HDMAPAPbBr<sub>4</sub> (<strong>1</strong>, 3HDMAPA is 3-(hydroxydimethylammonio)propan-1-aminium) was successfully synthesized and characterized. For <strong>1</strong>, organic cations filled in the van der Waals gap are connected by hydrogen bonds with halogens in the two-dimensional inorganic layer, forming a stable sandwich structure. During the solid-solid phase transition driven by temperature, the changes of inorganic skeleton are relatively small, and the disorder movement of organic cations does not affect the existence of hydrogen bonds, maintaining a relatively stable crystal structure. In addition, electrical property, optical property and crystal structures are analyzed and discussed in detail. We believe that our work will contribute to the development and application of phase change materials in response materials.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"43 11","pages":"Article 100426"},"PeriodicalIF":5.9,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-20DOI: 10.1016/j.cjsc.2024.100419
Xiaohan Zhang, Bo Xiao
{"title":"Facilitating ultra-fast lithium ion diffusion in face-centered cubic oxides via over-stoichiometric face-sharing configurations","authors":"Xiaohan Zhang, Bo Xiao","doi":"10.1016/j.cjsc.2024.100419","DOIUrl":"https://doi.org/10.1016/j.cjsc.2024.100419","url":null,"abstract":"","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"3 1","pages":""},"PeriodicalIF":2.2,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-17DOI: 10.1016/j.cjsc.2024.100411
Luyao Lu , Chen Zhu , Fei Li , Pu Wang , Xi Kang , Yong Pei , Manzhou Zhu
The ligand effects have been extensively investigated in Au and Ag nanoclusters, while corresponding research efforts focusing on Cu nanoclusters remain relatively insufficient. Such a scarcity could primarily be attributed to the inherent instability of Cu nanoclusters relative to their Au/Ag analogues. In this work, we report the controllable preparation and structural determination of a hydride-containing Cu28 nanocluster with a chemical formula of Cu28H10(SPhpOMe)18(DPPOE)3. The combination of Cu28H10(SPhpOMe)18(DPPOE)3 and previously reported Cu28H10(SPhoMe)18(TPP)3 constructs a structure-correlated cluster pair with comparable structures and properties. Accordingly, the ligand effects in directing the geometric structures and physicochemical properties (including optical absorptions and catalytic activities towards the selected hydrogenation) of copper nanoclusters were analyzed. Overall, this work presents a structure-correlated Cu28 pair that enables the atomic-level understanding of ligand effects on the structures and properties of metal nanoclusters.
{"title":"Ligand effects on geometric structures and catalytic activities of atomically precise copper nanoclusters","authors":"Luyao Lu , Chen Zhu , Fei Li , Pu Wang , Xi Kang , Yong Pei , Manzhou Zhu","doi":"10.1016/j.cjsc.2024.100411","DOIUrl":"10.1016/j.cjsc.2024.100411","url":null,"abstract":"<div><p>The ligand effects have been extensively investigated in Au and Ag nanoclusters, while corresponding research efforts focusing on Cu nanoclusters remain relatively insufficient. Such a scarcity could primarily be attributed to the inherent instability of Cu nanoclusters relative to their Au/Ag analogues. In this work, we report the controllable preparation and structural determination of a hydride-containing Cu<sub>28</sub> nanocluster with a chemical formula of Cu<sub>28</sub>H<sub>10</sub>(SPh<sup><em>p</em></sup>OMe)<sub>18</sub>(DPPOE)<sub>3</sub>. The combination of Cu<sub>28</sub>H<sub>10</sub>(SPh<sup><em>p</em></sup>OMe)<sub>18</sub>(DPPOE)<sub>3</sub> and previously reported Cu<sub>28</sub>H<sub>10</sub>(SPh<sup><em>o</em></sup>Me)<sub>18</sub>(TPP)<sub>3</sub> constructs a structure-correlated cluster pair with comparable structures and properties. Accordingly, the ligand effects in directing the geometric structures and physicochemical properties (including optical absorptions and catalytic activities towards the selected hydrogenation) of copper nanoclusters were analyzed. Overall, this work presents a structure-correlated Cu<sub>28</sub> pair that enables the atomic-level understanding of ligand effects on the structures and properties of metal nanoclusters.</p></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"43 10","pages":"Article 100411"},"PeriodicalIF":5.9,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142161670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-16DOI: 10.1016/j.cjsc.2024.100412
Wei Chen, Pieter Cnudde
Ketene and its derivatives, including surface acetate and acylium ion, are pivotal intermediates in zeolite catalysis, facilitating the conversion of C1 molecules into various chemicals. Understanding the formation, transformation, and function of ketene in zeolite catalysis is fundamental for comprehending and enhancing numerous chemical processes. Recent research advances have contributed significantly to a deeper molecular-level comprehension of how ketene affects the catalytic efficacy of zeolites, thereby playing a crucial role in the advancement of more efficient and selective catalytic processes. This minireview aims to provide an overview of ketene chemistry in zeolite catalysis, delineate the reaction network involving ketene, elucidate the role of ketene in zeolite-catalyzed reactions, and summarize the methods for characterizing ketene in zeolite environments.
{"title":"A minireview to ketene chemistry in zeolite catalysis","authors":"Wei Chen, Pieter Cnudde","doi":"10.1016/j.cjsc.2024.100412","DOIUrl":"10.1016/j.cjsc.2024.100412","url":null,"abstract":"<div><div>Ketene and its derivatives, including surface acetate and acylium ion, are pivotal intermediates in zeolite catalysis, facilitating the conversion of C1 molecules into various chemicals. Understanding the formation, transformation, and function of ketene in zeolite catalysis is fundamental for comprehending and enhancing numerous chemical processes. Recent research advances have contributed significantly to a deeper molecular-level comprehension of how ketene affects the catalytic efficacy of zeolites, thereby playing a crucial role in the advancement of more efficient and selective catalytic processes. This minireview aims to provide an overview of ketene chemistry in zeolite catalysis, delineate the reaction network involving ketene, elucidate the role of ketene in zeolite-catalyzed reactions, and summarize the methods for characterizing ketene in zeolite environments.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"43 11","pages":"Article 100412"},"PeriodicalIF":5.9,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177535","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-14DOI: 10.1016/j.cjsc.2024.100413
Yaohua Li, Qi Cao, Xuanhua Li
{"title":"Tailoring the configuration of polymer passivators in perovskite solar cells","authors":"Yaohua Li, Qi Cao, Xuanhua Li","doi":"10.1016/j.cjsc.2024.100413","DOIUrl":"https://doi.org/10.1016/j.cjsc.2024.100413","url":null,"abstract":"","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"29 1","pages":""},"PeriodicalIF":2.2,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142223455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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