Polyhedron最新文献_第4页

Pristine and Pt-doped RuC nanosheets as urea and thiourea sensors: DFT-based insights 作为尿素和硫脲传感器的原始和pt掺杂RuC纳米片：基于dft的见解

IF 2.6 3区化学

Polyhedron Pub Date : 2026-03-01 Epub Date: 2026-01-16 DOI: 10.1016/j.poly.2026.117973

Tamer H.A. Hasanin , Muhrail E.S. Aziz , Mohamed Y. El-Sayed , I.M. Ahmed , Mohammad F.H. Alruwalli , Amna H.M. Mahmoud , Mahmoud A.A. Ibrahim

{"title":"Pristine and Pt-doped RuC nanosheets as urea and thiourea sensors: DFT-based insights","authors":"Tamer H.A. Hasanin , Muhrail E.S. Aziz , Mohamed Y. El-Sayed , I.M. Ahmed , Mohammad F.H. Alruwalli , Amna H.M. Mahmoud , Mahmoud A.A. Ibrahim","doi":"10.1016/j.poly.2026.117973","DOIUrl":"10.1016/j.poly.2026.117973","url":null,"abstract":"<div><div>In this study, the sensing potentiality of the pristine and Pt-doped RuC nanosheets toward small organic molecules—urea (UR) and thiourea (TU)—was examined using density functional theory methods. The adsorption process of UR and TU molecules was simulated in vertical and parallel orientations relative to the pristine and Pt-doped RuC nanosheets. Energetically, the examined 2D nanosheets exhibited commendable sensing capabilities toward the UR and TU molecules in both orientations, with adsorption energies reaching −26.85 and −42.96 kcal/mol, respectively. Bader charge analysis revealed that both pristine and Pt-doped RuC nanosheets acted as electron donors during the adsorption process of UR and TU molecules, as indicated by the charge transfer values. Alterations in the energy gap values of the pristine and Pt-doped RuC nanosheets were observed following UR and TU adsorption, verifying the occurrence of the adsorption process. The recovery time (<em>τ</em>) analysis revealed that the desorption of the UR molecule from both 2D nanosheets was faster than that of the TU molecule, with <em>τ</em> values of 4.50 × 10<sup>7</sup> and 2.17 × 10<sup>19</sup> s for UR⋯ and TU⋯Pt-doped RuC complexes at 298.15 K, respectively. The density of states plots showed additional peaks upon UR and TU adsorption on the investigated RuC-based nanosheets. These results highlight the potential of the RuC-based nanosheets as efficient sensors for UR and TU molecules.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"287 ","pages":"Article 117973"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146039332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bidentate/bis-bidentate ligands−contained polymolybdate−based hybrid copper compounds for capacitive performance and catalytic detoxification of sulfur mustard simulant 双齿/双齿配体含多钼酸盐基杂化铜化合物的电容性能和芥子气模拟物的催化解毒性能

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-26 DOI: 10.1016/j.poly.2025.117941

Ji-Sheng Wang, Yi-Ming Li, Yu Bai, Xiang Wang

{"title":"Bidentate/bis-bidentate ligands−contained polymolybdate−based hybrid copper compounds for capacitive performance and catalytic detoxification of sulfur mustard simulant","authors":"Ji-Sheng Wang, Yi-Ming Li, Yu Bai, Xiang Wang","doi":"10.1016/j.poly.2025.117941","DOIUrl":"10.1016/j.poly.2025.117941","url":null,"abstract":"<div><div>To exploit polyoxometalate−based inorganic−organic hybrid compounds having potential capacitive and catalytic performances, in this work, 3, 5-bis(1H-imidazol-1-yl)nitrobenzene (BINB) and 1, 3-bis(3-(2-pyridyl)pyrazole)nitrobenzene (BPPNB) were used as bidentate and bis-bidentate organic ligands, and two hybrid copper compounds based on polymolybdates formulated as [Cu(H<sub>2</sub>O)<sub>2</sub>][Cu(BINB)<sub>2</sub>][β-Mo<sub>8</sub>O<sub>26</sub>]·4H<sub>2</sub>O (<strong>1</strong>) and [Cu<sub>4</sub>(BPPNB)<sub>2</sub>][γ-Mo<sub>8</sub>O<sub>26</sub>]<sub>2</sub>·8H<sub>2</sub>O (<strong>2</strong>), were synthesized under hydrothermal conditions and characterized. Two compounds have two−dimensional layer structures. The ring-connected-ring metal-organic chains constructed from bidentate BINB ligands and Cu<sup>2+</sup> ions gathered Cu/[β-Mo<sub>8</sub>O<sub>26</sub>]<sup>4−</sup> inorganic chains, resulting in a two−dimensional layer of <strong>1</strong>. In <strong>2</strong>, the [γ-Mo<sub>8</sub>O<sub>26</sub>]<sup>4−</sup> polymolybdates were connected each other in an edge−shared manner, giving a kind of polyoxometalate−based inorganic chains, further linked by bis-bidentate BPPNB ligands via Cu<sup>2+</sup> ions into a two−dimensional structure. Two compounds as electrode materials exhibited enhanced specific capacitances of 1462 F g<sup>−1</sup> for <strong>1</strong>, 1530 F g<sup>−1</sup> for <strong>2</strong> at a current density of 1 A g<sup>−1</sup>. Moreover, <strong>1</strong> and <strong>2</strong> were efficient in catalytic detoxification of sulfur mustard simulant 2-chloroethyl ethyl sulfide with satisfying conversion rates and selectivity. These results provided a promising strategy in the exploitation polyoxometalate−based hybrids as capacitor materials and catalysts.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"286 ","pages":"Article 117941"},"PeriodicalIF":2.6,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145885955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Light-driven olefin oxidation using Mn-porphyrin immobilized onto chitosan: A sustainable approach based on green chemistry 壳聚糖固定化锰卟啉光驱烯烃氧化：一种基于绿色化学的可持续方法

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-20 DOI: 10.1016/j.poly.2025.117937

Saeed Rayati, Sona Bajelan

引用次数: 0

Selective removal of cationic organic dyes from aqueous solution using dendritic fibrous nanosilica 枝状纤维纳米二氧化硅选择性去除水溶液中的阳离子有机染料

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-29 DOI: 10.1016/j.poly.2025.117950

Tau S. Ntelane , Mayetu Segale , Nomcebo H. Mthombeni , Dieketseng Tsotetsi , Mokhotjwa Dhlamini , Usisipho Feleni , Rudzani Sigwadi , Alex T. Kuvarega

{"title":"Selective removal of cationic organic dyes from aqueous solution using dendritic fibrous nanosilica","authors":"Tau S. Ntelane , Mayetu Segale , Nomcebo H. Mthombeni , Dieketseng Tsotetsi , Mokhotjwa Dhlamini , Usisipho Feleni , Rudzani Sigwadi , Alex T. Kuvarega","doi":"10.1016/j.poly.2025.117950","DOIUrl":"10.1016/j.poly.2025.117950","url":null,"abstract":"<div><div>Developing novel adsorbents with high selectivity is crucial for the effective adsorption of diverse organic pollutants in wastewater. Dendritic fibrous nanosilica (KCC-1) was synthesized through the hydrothermal method to evaluate the impact of varying silica content (112, 170 and 224 mmol) on its adsorption capacity. The resultant KCC-1 displayed distinctly defined fibres and three-dimensional (3D) center-radial channels, resulting in large pore volumes, exceedingly high specific surface areas, and particularly accessible internal sites, which offer numerous adsorption sites. Experimental results demonstrated that varying silica moles affected particle size and specific textural properties (including surface area and pore volume) to a certain degree, with little impact on the performance. The results indicated that the synthesized KCC-1 using 170 mmol silica source exhibited superior efficiency for the selective adsorption of cationic dyes (rhodamine B and methylene blue) compared to anionic dyes (methyl orange and tartrazine) at pH 7.0. The maximum adsorption capacities for rhodamine B and methylene blue, according to the Langmuir isotherm model, were found to be 124.5 mg/g and 117.4 mg/g, respectively. The pronounced adsorption affinity for cationic dyes was attributed to the robust electrostatic interactions that occur between the adsorbent and the adsorbates. This study elucidates the extent to which reaction parameters influence the performance of KCC-1, given that their physicochemical properties are contingent with methodology and reaction parameters. The KCC-1 exhibits a remarkable ability to selectively remove dyes, indicating significant potential for the separation and recovery of dyes from real wastewater.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"286 ","pages":"Article 117950"},"PeriodicalIF":2.6,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145885397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis and characterization of Schiff-base Chemosensor for spectroscopic and colorimetric selective recognition of Cu2+ in semi-aqueous medium 半水介质中选择性识别Cu2+的希夫碱化学传感器的合成与表征

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-18 DOI: 10.1016/j.poly.2025.117930

Ranjana Aggarwal , Prince Kumar , Garima Sumran , Mona Hooda , Ashwani Kumar

{"title":"Synthesis and characterization of Schiff-base Chemosensor for spectroscopic and colorimetric selective recognition of Cu2+ in semi-aqueous medium","authors":"Ranjana Aggarwal , Prince Kumar , Garima Sumran , Mona Hooda , Ashwani Kumar","doi":"10.1016/j.poly.2025.117930","DOIUrl":"10.1016/j.poly.2025.117930","url":null,"abstract":"<div><div>A novel (1<em>E</em>,2<em>Z</em>)-2-(((<em>E</em>)-2-hydroxybenzylidene)hydrazono)-1,2-diphenylethan-1-one oxime (HHDO, <strong>4</strong>) has been synthesized by condensation reaction of 2-hydrazono-1,2-diphenylethan-1-one oxime (<strong>2</strong>) and 2-hydroxybenzaldehyde (<strong>3</strong>) and characterized by FTIR, <sup>1</sup>H NMR, <sup>13</sup>C NMR and mass spectrum (MS). HHDO displays high selectivity and sensitivity towards Cu<sup>2+</sup> ions. Sensing property for Cu<sup>2+</sup> is studied by UV–visible, fluorescence spectrophotometric analyses, along with Job's plot analysis. The result shows that the stoichiometric ratio of the complex formed by HHDO and Cu<sup>2+</sup> is 1:1. HHDO exhibits an excellent selectivity to Cu<sup>2+</sup> over other examined metal ions by showing an intense color change from colorless to crimson yellow under visible light. The binding behavior of the ligand towards Cu<sup>2+</sup> ions is described by the infrared spectrum analysis. In addition, the developed sensing probe HHDO exhibits a limit of detection of 2.66 × 10<sup>−5</sup> M, and a limit of quantitation of 8.89 × 10<sup>−5</sup> M in the linear range 0.75–7.0 × 10<sup>−6</sup> M with a good association affinity of 8.26 × 10<sup>6</sup> M<sup>−1</sup> for Cu<sup>2+</sup> ions. Additionally, HHDO could be applied as a naked-eye colorimetric kit for Cu<sup>2+</sup> ions.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"286 ","pages":"Article 117930"},"PeriodicalIF":2.6,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145814331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring pyrrole, furan, and thiophene-based Schiff bases for selective cerium (III) ion recognition: Experimental and computational investigation 探索吡咯，呋喃和噻吩基席夫碱选择性铈（III）离子识别：实验和计算研究

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-26 DOI: 10.1016/j.poly.2025.117940

Sonia Balan , Vijay Kumar , Nancy George , Jandeep Singh , Kashmiri Lal

{"title":"Exploring pyrrole, furan, and thiophene-based Schiff bases for selective cerium (III) ion recognition: Experimental and computational investigation","authors":"Sonia Balan , Vijay Kumar , Nancy George , Jandeep Singh , Kashmiri Lal","doi":"10.1016/j.poly.2025.117940","DOIUrl":"10.1016/j.poly.2025.117940","url":null,"abstract":"<div><div>In this study, we report the design and synthesis of a novel heterocycle-based hydrazone accomplished via condensation reaction between chloroquinoline hydrazine and heterocyclic carbaldehyde derivatives and the resulting heterocycle-chloroquinoline hydrazone hybrid Schiff base ligands were successfully characterized using spectral techniques. The hybrid probes exhibited remarkable optical responses, showing high sensitivity, selectivity, and rapid detection ability toward Ce<sup>3+</sup> ions as studied through UV–visible and fluorescence titration experiments. The probes <strong>3a–3c</strong> exhibited low limits of detection (LOD) for Ce(III) established as 6.14 nM, 7.57 nM, 8.57 nM and good binding constant found to be 5.91 × 10<sup>4</sup> M<sup>−1</sup>, 1.40 × 10<sup>4</sup> M<sup>−1</sup>, and 2.39 × 10<sup>4</sup> M<sup>−1</sup>, respectively. The stoichiometric ratio was estimated as (1:1) ratio for metal-ligand complex by Job plot analysis. The DFT calculations were performed using B3LYP/6-311G++(d,p) for free probes and B3LYP/SDD for corresponding metal complexes to provide insights into binding interactions. The integrated experimental and theoretical findings formulate a reliable and precise detection framework for the detection of Ce(III) ions, having potential applications in ecological monitoring and analytical chemistry.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"286 ","pages":"Article 117940"},"PeriodicalIF":2.6,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145885398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Stereoselective synthesis and redox properties of ferrocene-substituted pyrrolidines via [3+2] cycloaddition [3+2]环加成法合成二茂铁取代吡咯烷的立体选择性及氧化还原性能

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-30 DOI: 10.1016/j.poly.2025.117951

Marko Pešić , Jovana Bugarinović , Slađana B. Novaković , Goran A. Bogdanović , Anka Todosijević , Dragana Stevanović , Ivan Damljanović

{"title":"Stereoselective synthesis and redox properties of ferrocene-substituted pyrrolidines via [3+2] cycloaddition","authors":"Marko Pešić , Jovana Bugarinović , Slađana B. Novaković , Goran A. Bogdanović , Anka Todosijević , Dragana Stevanović , Ivan Damljanović","doi":"10.1016/j.poly.2025.117951","DOIUrl":"10.1016/j.poly.2025.117951","url":null,"abstract":"<div><div>A new series of ferrocene-containing pyrrolidine derivatives was synthesized through a [3+2] dipolar cycloaddition of azomethine ylides with 1-ferrocenyl-2-nitroethene. Under mild conditions and in the presence of silver acetate and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), the reaction was performed repeatedly to afford six novel compounds in moderate to good yields. Structural elucidation was achieved by NMR and IR, while single-crystal X-ray diffraction of two representative compounds unambiguously confirmed the stereochemical outcome and spatial orientation of the substituents. The stereochemical preferences were rationalized by charge distribution, steric effects of the bulky ferrocene group, and secondary orbital interactions, consistent with an <em>endo</em> reaction pathway. According to X-ray analysis, all five substituents of the pyrrolidine ring are involved in intermolecular interactions, while a double chain composed solely of ferrocenyl units appears as the most prominent structural feature. The non-covalent interactions were analyzed based on interaction energy. Electrochemical properties were examined by cyclic voltammetry (CV), which revealed a reversible one-electron redox process. The anodic peak potentials were shifted relative to ferrocene, reflecting the influence of electron-withdrawing nitro substituents. These findings highlight the dual synthetic and biological relevance of ferrocenyl pyrrolidines as redox-active scaffolds with antioxidant potential.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"286 ","pages":"Article 117951"},"PeriodicalIF":2.6,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145885399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Supramolecular crown ether-Keggin polyoxometalate assembly: synthesis, structure, and electrocatalytic activities 超分子冠醚- keggin多金属氧酸组装：合成、结构和电催化活性

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-18 DOI: 10.1016/j.poly.2025.117934

Yong Liu , Hongxu Zhang , Zitong Wang , Zonish Zeb , Huayan Zhang , Qiqi Zhang , Yi Liu , Xinyuan Jiang , Mengyao Wang , Lu-Nan Zhang , Yongge Wei , Lubin Ni

引用次数: 0

Hydrothermally fabricated innovative MgCrO4/rGO composite for supercapacitor activities 用于超级电容器活性的新型水热制备MgCrO4/rGO复合材料

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-24 DOI: 10.1016/j.poly.2025.117939

Zarghuna Firdous , Haifa A. Alyousef , B.M. Alotaibi , Albandari.W. Alrowaily , Hala M. Abo-Dief , Ahmed Hussain Jawhari , Abhinav Kumar

{"title":"Hydrothermally fabricated innovative MgCrO4/rGO composite for supercapacitor activities","authors":"Zarghuna Firdous , Haifa A. Alyousef , B.M. Alotaibi , Albandari.W. Alrowaily , Hala M. Abo-Dief , Ahmed Hussain Jawhari , Abhinav Kumar","doi":"10.1016/j.poly.2025.117939","DOIUrl":"10.1016/j.poly.2025.117939","url":null,"abstract":"<div><div>In recent decades, research community has experienced a pronounced emphasis on adjustable nanostructured materials for supercapacitors, influenced by the increasing demand for eco-friendly energy sources. To address these challenges via enhancement of electrode constituents, metal oxide-based rGO nanocomposites have exhibited considerable potential in multiple domains, including energy conversion and storage. The current research encompasses the fabrication of MgCrO<sub>4</sub>/rGO nanohybrid as capacitive material using straightforward hydrothermal method, which yields good morphological and structural properties, as confirmed by various physiochemical and electrochemical techniques. Electrochemical nature of produced nanocomposite is assessed within confined potential window of 0.0–0.6 V vs. Ag/AgCl in 2 M of alkaline medium (KOH). Meanwhile, electrochemical results suggested that specific capacitance (C<sub>s</sub>) of MgCrO<sub>4</sub>/rGO nanocomposite was examined to 1415 F/g @ 1 A/g. Significant C<sub>s</sub> of MgCrO<sub>4</sub>/rGO corresponds to crystal size, increased surface area (SA) of rGO and synergistic impact produced by MgCrO<sub>4</sub> and rGO. Furthermore, energy density (44.3 Wh/kg) as well as power density (237.5 W/kg @ 1 A/g) was exhibited by nanocomposite. Additionally, collected results revealed significant effectiveness of ion transport efficiency due to small solution resistance (R<sub>s</sub> = 0.90 Ω) at MgCrO<sub>4</sub>/rGO interface. Diverse stability tests demonstrated that MgCrO<sub>4</sub>/rGO displayed stable performance over 50 h with strong structure integrity after 3000<sup>th</sup> cycles. Our outcomes demonstrate that synthesized nanohybrid exhibited remarkable electrochemical functionality and holds great potential for addressing future energy-related challenges.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"286 ","pages":"Article 117939"},"PeriodicalIF":2.6,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145927526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient adsorption of rhodamine-B using Fe-based metal-organic frameworks: kinetics and isotherms study 铁基金属有机骨架对罗丹明b的高效吸附：动力学和等温线研究

IF 2.6 3区化学

Polyhedron Pub Date : 2026-02-15 Epub Date: 2025-12-22 DOI: 10.1016/j.poly.2025.117938

Avadhut V. Kardile , Prateek V. Sawant , Mahadev A. Parekar , Ajay N. Kawade , Haribhau M. Borate , Mansur H. Moulavi , Saiprakash Rout , Dipak Kumar Sahoo , Latesh K. Nikam , Ravindra U. Mene

{"title":"Efficient adsorption of rhodamine-B using Fe-based metal-organic frameworks: kinetics and isotherms study","authors":"Avadhut V. Kardile , Prateek V. Sawant , Mahadev A. Parekar , Ajay N. Kawade , Haribhau M. Borate , Mansur H. Moulavi , Saiprakash Rout , Dipak Kumar Sahoo , Latesh K. Nikam , Ravindra U. Mene","doi":"10.1016/j.poly.2025.117938","DOIUrl":"10.1016/j.poly.2025.117938","url":null,"abstract":"<div><div>This study presents a sustainable strategy for removing dyes from wastewater, focusing on iron-based metal-organic framework (Fe-MOF) synthesized through a solvothermal process. These Fe-MOF were employed for the adsorptive removal of Rhodamine-B from aqueous solutions. The structural, optical, morphological, and thermal characteristics of the materials were thoroughly analyzed using X-ray diffraction, UV–visible diffuse reflectance spectroscopy, Fourier-transform infrared spectroscopy, Field emission scanning electron microscopy, Brunauer–Emmett–Teller surface area analysis, and Thermogravimetric analysis. The batch adsorption method was used to examine factors influencing the adsorption process, including initial dye concentration, adsorbent dosage, and contact time. Various adsorption isotherms, including Langmuir, Freundlich, and Temkin models, were tested to identify the best fit for the RhB-Fe-MOF system. Additionally, the adsorption kinetics were analyzed using models such as pseudo-first-order (PFO), pseudo-second-order (PSO), Avrami, Interparticle Diffusion, and Boyd models. The Langmuir isotherm model revealed a maximum adsorption capacity of 251.86 mg/g, while kinetic studies indicated a strong correlation with PFO, PSO, and Avrami models based on R<sup>2</sup> values. Furthermore, Weber-Morris and Boyd kinetic plots suggested that film diffusion was the rate-limiting step in the process. Moreover, the catalyst remains efficient after five cycles, demonstrating its reusability. Overall, the results highlight the promising potential of Fe-MOFs as efficient and sustainable adsorbents for treating dye-contaminated industrial wastewater.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"286 ","pages":"Article 117938"},"PeriodicalIF":2.6,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0