Pub Date : 2025-11-19DOI: 10.1016/j.poly.2025.117892
Feng-Li Chen , Ao-Na Sun , Jiong Yang , Bo Chen , Jiang-Ping Qin , Dong Shao
A metal hydrogen-bonded organic frameworks (MHOFs) constructed from a 1D Fe(II) coordination polymer, {[Fe(bpy)·(H2O)4]·2ClO4·2bpy·2H2O}n (Fe, bpy = 4,4’-Bipyridine) was structurally, magnetically, and electrically characterized. Structural analysis indicates the presence of a high content of coordinated water and lattice water molecules, which form multiple hydrogen-bonded interactions with perchlorate anions and free bpy ligands. Combining the intermolecular π–π stacking interactions, a 3D supramolecular framework was formed. Magnetic measurements reveal high spin of the Fe2+ ions in FeHOF, in conjunction with variable-temperature single-crystal X-ray diffraction analysis. In addition, weak antiferromagnetic interaction between the Fe2+ ions transferred by bpy (J = −1.3 cm−1) was evidenced. Electrochemical impedance spectroscopy (EIS) indicates the FeHOF temperature and -humidity dependent proton conduction behavior through a vehicle mechanism (Ea = 0.45 eV). The highest observed conductivity was 6.2 × 10−5 S·cm−1 at 60 °C under 95% RH, indicating a supramolecular proton conductor of the FeHOF. The foregoing results not only provide a new proton-conducting MHOF material but also a promising way to construct proton-conducting MHOFs via a coordination chain approach
{"title":"Synthesis, structure, magnetic property, and proton conduction of a hydrogen-bonded framework assembled from Fe(II) coordination chains","authors":"Feng-Li Chen , Ao-Na Sun , Jiong Yang , Bo Chen , Jiang-Ping Qin , Dong Shao","doi":"10.1016/j.poly.2025.117892","DOIUrl":"10.1016/j.poly.2025.117892","url":null,"abstract":"<div><div>A metal hydrogen-bonded organic frameworks (MHOFs) constructed from a 1D Fe(II) coordination polymer, {[Fe(bpy)·(H<sub>2</sub>O)<sub>4</sub>]·2ClO<sub>4</sub>·2bpy·2H<sub>2</sub>O}<sub>n</sub> (<strong>Fe</strong>, bpy = 4,4’-Bipyridine) was structurally, magnetically, and electrically characterized. Structural analysis indicates the presence of a high content of coordinated water and lattice water molecules, which form multiple hydrogen-bonded interactions with perchlorate anions and free bpy ligands. Combining the intermolecular π–π stacking interactions, a 3D supramolecular framework was formed. Magnetic measurements reveal high spin of the Fe<sup>2+</sup> ions in FeHOF, in conjunction with variable-temperature single-crystal X-ray diffraction analysis. In addition, weak antiferromagnetic interaction between the Fe<sup>2+</sup> ions transferred by bpy (<em>J</em> = −1.3 cm<sup>−1</sup>) was evidenced. Electrochemical impedance spectroscopy (EIS) indicates the FeHOF temperature and -humidity dependent proton conduction behavior through a vehicle mechanism (<em>E</em><sub>a</sub> = 0.45 eV). The highest observed conductivity was 6.2 × 10<sup>−5</sup> S·cm<sup>−1</sup> at 60 °C under 95% RH, indicating a supramolecular proton conductor of the FeHOF. The foregoing results not only provide a new proton-conducting MHOF material but also a promising way to construct proton-conducting MHOFs via a coordination chain approach</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117892"},"PeriodicalIF":2.6,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577688","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}
Pub Date : 2025-11-19DOI: 10.1016/j.poly.2025.117904
Syahrina Nur 'Ain Abdul Halim , Khomaizon Abdul Kadir Pahirul Zaman , Siti Nadiah Abdul Halim , Pei Meng Woi , Rozie Sarip
Two new gold(I) thiosemicarbazone phosphine complexes have been synthesised and characterised using various spectroscopic techniques and single-crystal X-ray diffraction. In these complexes, the gold atom is coordinated with the sulphur of thiosemicarbazone and phosphorus of triphenylphosphine, resulting in a linear structure. These complexes were also employed as precursors for the synthesis of Au monometallic clusters, resulting in very refined nanosized particles that were analysed using electrospray ionisation mass spectroscopy (ESI-MS), UV–Visible spectroscopy, X-ray photoelectron spectroscopy (XPS) and high-resolution transmission microscopy (HR-TEM). Furthermore, cyclic voltammetry (CV) analysis was conducted to evaluate the electrochemical properties of the complexes and clusters. The antibacterial properties of these nanoclusters, complexes, as well as their free thiosemicarbazone ligands, were assessed against gram-positive Staphylococcus aureus and gram-negative Escherichia coli. While the free ligands exhibited a considerable antibacterial activity, their corresponding Au(I) complexes showed diminished efficacy against both bacterial strains. In contrast, the nanoclusters demonstrated notable activity against S. aureus but proved ineffective against E. coli.
{"title":"From monomers to nanoclusters: Synthesis, characterisation and antibacterial evaluation of gold (I) complexes and their nanoclusters containing thiosemicarbazone and phosphine ligands","authors":"Syahrina Nur 'Ain Abdul Halim , Khomaizon Abdul Kadir Pahirul Zaman , Siti Nadiah Abdul Halim , Pei Meng Woi , Rozie Sarip","doi":"10.1016/j.poly.2025.117904","DOIUrl":"10.1016/j.poly.2025.117904","url":null,"abstract":"<div><div>Two new gold(I) thiosemicarbazone phosphine complexes have been synthesised and characterised using various spectroscopic techniques and single-crystal X-ray diffraction. In these complexes, the gold atom is coordinated with the sulphur of thiosemicarbazone and phosphorus of triphenylphosphine, resulting in a linear structure. These complexes were also employed as precursors for the synthesis of Au monometallic clusters, resulting in very refined nanosized particles that were analysed using electrospray ionisation mass spectroscopy (ESI-MS), UV–Visible spectroscopy, X-ray photoelectron spectroscopy (XPS) and high-resolution transmission microscopy (HR-TEM). Furthermore, cyclic voltammetry (CV) analysis was conducted to evaluate the electrochemical properties of the complexes and clusters. The antibacterial properties of these nanoclusters, complexes, as well as their free thiosemicarbazone ligands, were assessed against gram-positive <em>Staphylococcus aureus</em> and gram-negative <em>Escherichia coli</em>. While the free ligands exhibited a considerable antibacterial activity, their corresponding Au(I) complexes showed diminished efficacy against both bacterial strains. In contrast, the nanoclusters demonstrated notable activity against <em>S. aureus</em> but proved ineffective against <em>E. coli</em>.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117904"},"PeriodicalIF":2.6,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621350","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}
Pub Date : 2025-11-19DOI: 10.1016/j.poly.2025.117900
Nitin H. Kolhe , Yasinalli Tamboli , Huda A. Bawazir , Vijay Singh Parihar
Mixed-ligand transition metal complexes have emerged as a significant area of research due to their tunable structural, electronic, and biological properties. This comprehensive review provides a detailed analysis of recent advances in the synthesis, characterization, and diverse applications of complexes formed by combining 3-formylchromone derivatives with auxiliary N, O-donor ligand 8-hydroxyquinoline. We systematically explore the coordination chemistry of chromone, a versatile pharmacophore, highlighting its role as a primary ligand. A critical examination of their biological properties, including antimicrobial, anticancer, and antioxidant activities, is presented. Furthermore, the review elucidates the key structure-activity relationships (SARs) that govern their efficacy. By compiling the current state of knowledge, this work aims to identify existing research gaps and propose future directions for the rational design of next-generation mixed-ligand complexes with tailored properties for advanced applications in medicine.
{"title":"Advances in mixed ligand transition metal complexes: Chromone derivatives and N, O donor ligands – a comprehensive review","authors":"Nitin H. Kolhe , Yasinalli Tamboli , Huda A. Bawazir , Vijay Singh Parihar","doi":"10.1016/j.poly.2025.117900","DOIUrl":"10.1016/j.poly.2025.117900","url":null,"abstract":"<div><div>Mixed-ligand transition metal complexes have emerged as a significant area of research due to their tunable structural, electronic, and biological properties. This comprehensive review provides a detailed analysis of recent advances in the synthesis, characterization, and diverse applications of complexes formed by combining 3-formylchromone derivatives with auxiliary N, O-donor ligand 8-hydroxyquinoline. We systematically explore the coordination chemistry of chromone, a versatile pharmacophore, highlighting its role as a primary ligand. A critical examination of their biological properties, including antimicrobial, anticancer, and antioxidant activities, is presented. Furthermore, the review elucidates the key structure-activity relationships (SARs) that govern their efficacy. By compiling the current state of knowledge, this work aims to identify existing research gaps and propose future directions for the rational design of next-generation mixed-ligand complexes with tailored properties for advanced applications in medicine.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117900"},"PeriodicalIF":2.6,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621352","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}
Pub Date : 2025-11-19DOI: 10.1016/j.poly.2025.117891
Michael A. Land , Mitchell J. Baker , George L. Lawless , Kai E.O. Ylijoki , Katherine N. Robertson , Jason A.C. Clyburne
The dihalopropenium salt, 1,3-dicholoro-1,3-bis(dimethylamino)propenium hexafluorophosphate, reacts with N,N-diisopropylethylamine to produce an intermediate halopropyne iminium cation. This transient intermediate reacts with diphenylamine to produce a tetraamino propenium salt, 1,3-bis(dimethylamino)-1,3-bis(diphenylamino)propenium hexafluorophosphate. In contrast, reaction with diphenylphosphine under similar conditions produces a putative dicationic four-membered phosphacycle, which subsequently adds a fluoride ion to give the stable isolable salt, 1-fluoro-1,1-diphenyl-2,4-bis(dimethylamino)phosphetenium hexafluorophosphate. Both compounds have been fully characterized including X-ray crystal structures. Reasons for the different observed reactivities are discussed.
{"title":"Contrasting the reactions of diphenylamine and diphenylphosphine with the 1,3-dicholoro-1,3-bis(dimethylamino)propenium ion","authors":"Michael A. Land , Mitchell J. Baker , George L. Lawless , Kai E.O. Ylijoki , Katherine N. Robertson , Jason A.C. Clyburne","doi":"10.1016/j.poly.2025.117891","DOIUrl":"10.1016/j.poly.2025.117891","url":null,"abstract":"<div><div>The dihalopropenium salt, 1,3-dicholoro-1,3-<em>bis</em>(dimethylamino)propenium hexafluorophosphate, reacts with <em>N</em>,<em>N</em>-diisopropylethylamine to produce an intermediate halopropyne iminium cation. This transient intermediate reacts with diphenylamine to produce a tetraamino propenium salt, 1,3-<em>bis</em>(dimethylamino)-1,3-<em>bis</em>(diphenylamino)propenium hexafluorophosphate. In contrast, reaction with diphenylphosphine under similar conditions produces a putative dicationic four-membered phosphacycle, which subsequently adds a fluoride ion to give the stable isolable salt, 1-fluoro-1,1-diphenyl-2,4-<em>bis</em>(dimethylamino)phosphetenium hexafluorophosphate. Both compounds have been fully characterized including X-ray crystal structures. Reasons for the different observed reactivities are discussed.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"287 ","pages":"Article 117891"},"PeriodicalIF":2.6,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145929093","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}
Pub Date : 2025-11-19DOI: 10.1016/j.poly.2025.117899
A. Tesmar , A. Sikorski , P. Niedziałkowski , B. Matusiewicz , I. Inkielewicz-Stępniak , D. Wyrzykowski
The nature of the counterions is a key factor in designing nitrilotriacetate (nta) oxidovanadium(IV) salts. Selecting the appropriate counterion affects the formation of complexes with either mono- or hetero-ligands in the coordination sphere, as well as mono- or heteronuclear entities. N-heterocyclic compounds can serve dual roles: they can act as counterions and simultaneously chelate the vanadium(IV) cation, or they can function solely as counterions without directly coordinating with the metal centre. Consequently, it enables the design of new coordination compounds with desirable physicochemical and biological properties. In this article, we present the crystal structure of a novel heteroligand nitrilotriacetate (nta) oxidovanadium(IV) complex salt of a general formula, [(2-NH2–3-OH)pyH)][VO(nta)(2-NH2–3-O-pyH)]∙H2O, where 2-amino-3-hydroxypyridine acts as both a zwitterionic ligand (2-NH2–3-O-pyH)± and a counterion [(2-NH2–3-OH)pyH]+. The physicochemical properties of the newly synthesized complex salt were thoroughly investigated and analyzed, including its ABTS•+ radical scavenging activity and reactivity towards hydrogen peroxide (H2O2). These studies aimed to explore potential structural features of the oxidovanadium(IV) species that may influence their antioxidant activity. Finally, the potential of 2-amino-3-hydroxypyridine and [(2-NH2–3-OH)pyH)][VO(nta)(2-NH2–3-O-pyH)]∙H2O as cytoprotective agents against oxidative damage induced by H2O2 was assessed using the HT22 hippocampal neuronal cell line.
{"title":"A novel heteroligand nitrilotriacetate oxidovanadium(IV) complex salt with 2-amino-3-hydroxypyridine as a zwitterionic ligand and counterion: Structural characterisation, antioxidant activity and cytoprotective potential","authors":"A. Tesmar , A. Sikorski , P. Niedziałkowski , B. Matusiewicz , I. Inkielewicz-Stępniak , D. Wyrzykowski","doi":"10.1016/j.poly.2025.117899","DOIUrl":"10.1016/j.poly.2025.117899","url":null,"abstract":"<div><div>The nature of the counterions is a key factor in designing nitrilotriacetate (nta) oxidovanadium(IV) salts. Selecting the appropriate counterion affects the formation of complexes with either mono- or hetero-ligands in the coordination sphere, as well as mono- or heteronuclear entities. N-heterocyclic compounds can serve dual roles: they can act as counterions and simultaneously chelate the vanadium(IV) cation, or they can function solely as counterions without directly coordinating with the metal centre. Consequently, it enables the design of new coordination compounds with desirable physicochemical and biological properties. In this article, we present the crystal structure of a novel heteroligand nitrilotriacetate (nta) oxidovanadium(IV) complex salt of a general formula, [(2-NH<sub>2</sub>–3-OH)pyH)][VO(nta)(2-NH<sub>2</sub>–3-O-pyH)]∙H<sub>2</sub>O, where 2-amino-3-hydroxypyridine acts as both a zwitterionic ligand (2-NH<sub>2</sub>–3-O-pyH)<sup>±</sup> and a counterion [(2-NH<sub>2</sub>–3-OH)pyH]<sup>+</sup>. The physicochemical properties of the newly synthesized complex salt were thoroughly investigated and analyzed, including its ABTS<sup>•+</sup> radical scavenging activity and reactivity towards hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>). These studies aimed to explore potential structural features of the oxidovanadium(IV) species that may influence their antioxidant activity. Finally, the potential of 2-amino-3-hydroxypyridine and [(2-NH<sub>2</sub>–3-OH)pyH)][VO(nta)(2-NH<sub>2</sub>–3-O-pyH)]∙H<sub>2</sub>O as cytoprotective agents against oxidative damage induced by H<sub>2</sub>O<sub>2</sub> was assessed using the HT22 hippocampal neuronal cell line.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117899"},"PeriodicalIF":2.6,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621348","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}
Pub Date : 2025-11-17DOI: 10.1016/j.poly.2025.117898
Zhen-Yu Yang, Jia-Lu Guan, Jin-Sheng Zhang, Ju-Wen Zhang, Yan Zhao, Bin-Qiu Liu
In this paper, a series of Ni(II)-Ln(III) heterometallic complexes [Ln2Ni2(2,3-DCB)10(4,4′-dm-2,2′-bpy)2] [Ln = Nd (1), Sm (2), Eu (3), Gd (4), Tb (5), Dy (6), Yb (7), 2,3-HDCB = 2,3-dichlorobenzoic acid, 4,4′-dm-2,2′-bpy = 4,4′-dimethyl-2,2′-bipyridine] were solvothermally synthesized and structurally characterized. Complexes 1–7 have the same molecular formula but different molecular structures. Complexes 1–6 are isostructural. Complexes 1–7 all show zero-dimensional (0D) linear tetranuclear cluster structures, and the adjacent molecules can be linked through the π–π interactions between 4,4′-dm-2,2′-bipy into a one-dimensional (1D) supramolecular chain. Complex 6 exhibits the ferromagnetic couplings between the metal ions and obvious field-dependent single-molecule magnet (SMM) behavior with an effective energy barrier (Ueff) of approximately 13 K. Introduction of two methyl groups in 2,2′-bipy has an important effect on the structures and magnetic properties of Ni(II)-Ln(III) heterometallic complexes.
{"title":"Syntheses, structures and magnetic properties of a series of nickel-lanthanide heterometallic complexes with mixed ligands of 2,3-dichlorobenzoate and 4,4′-dimethyl-2,2′-bipyridine","authors":"Zhen-Yu Yang, Jia-Lu Guan, Jin-Sheng Zhang, Ju-Wen Zhang, Yan Zhao, Bin-Qiu Liu","doi":"10.1016/j.poly.2025.117898","DOIUrl":"10.1016/j.poly.2025.117898","url":null,"abstract":"<div><div>In this paper, a series of Ni(II)-Ln(III) heterometallic complexes [Ln<sub>2</sub>Ni<sub>2</sub>(2,3-DCB)<sub>10</sub>(4,4′-dm-2,2′-bpy)<sub>2</sub>] [Ln = Nd (<strong>1</strong>), Sm (<strong>2</strong>), Eu (<strong>3</strong>), Gd (<strong>4</strong>), Tb (<strong>5</strong>), Dy (<strong>6</strong>), Yb (<strong>7</strong>), 2,3-HDCB = 2,3-dichlorobenzoic acid, 4,4′-dm-2,2′-bpy = 4,4′-dimethyl-2,2′-bipyridine] were solvothermally synthesized and structurally characterized. Complexes <strong>1</strong>–<strong>7</strong> have the same molecular formula but different molecular structures. Complexes <strong>1</strong>–<strong>6</strong> are isostructural. Complexes <strong>1</strong>–<strong>7</strong> all show zero-dimensional (0D) linear tetranuclear cluster structures, and the adjacent molecules can be linked through the π–π interactions between 4,4′-dm-2,2′-bipy into a one-dimensional (1D) supramolecular chain. Complex <strong>6</strong> exhibits the ferromagnetic couplings between the metal ions and obvious field-dependent single-molecule magnet (SMM) behavior with an effective energy barrier (<em>U</em><sub>eff</sub>) of approximately 13 K. Introduction of two methyl groups in 2,2′-bipy has an important effect on the structures and magnetic properties of Ni(II)-Ln(III) heterometallic complexes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117898"},"PeriodicalIF":2.6,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577697","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}
Pub Date : 2025-11-17DOI: 10.1016/j.poly.2025.117894
Muhammad Tariq Nadeem , M.I. Khan , Ali Mujtaba , Merfat S. Al-Sharif , Dalia I. Saleh , M.N. Khan
The significance of this study lies in addressing the urgent need for sustainable solutions to mitigate dye-contaminated wastewater. This work presents a novel green-synthesized CuWO₄@SnWO₄ nanocomposite using Aloe vera extract via hydrothermal method for enhanced photocatalytic degradation of methylene blue (MB) under visible light. Structural analysis via XRD confirmed the formation of a monoclinic CuWO₄@SnWO₄ phase with an average crystallite size of 29.11 nm, indicating high crystallinity and defect-induced strain. FTIR spectra verified the presence of characteristic WO, CuO, and SnO vibrational bands, validating the composite's structural integrity. SEM revealed interconnected, irregular flake-like morphologies with particle sizes centered around 47 μm, promoting higher surface area and charge transfer. Electrochemical characterizations using CV and EIS demonstrated strong redox activity and low charge transfer resistance (1.09 Ω), confirming efficient charge separation and mobility. UV–vis spectroscopy showed strong absorption in the visible range with a narrow band gap of 2.23 eV. Photocatalytic experiments exhibited remarkable degradation efficiency of 91 % for MB within 135 min, following zero-order kinetics. This highlights the composite's applicability for wastewater treatment. Future studies can further optimize morphology and explore other green precursors to expand practical deployment in environmental remediation.
{"title":"Improving the photocatalytic properties of metal tungsten oxide heterostructure prepared by the green hydrothermal method","authors":"Muhammad Tariq Nadeem , M.I. Khan , Ali Mujtaba , Merfat S. Al-Sharif , Dalia I. Saleh , M.N. Khan","doi":"10.1016/j.poly.2025.117894","DOIUrl":"10.1016/j.poly.2025.117894","url":null,"abstract":"<div><div>The significance of this study lies in addressing the urgent need for sustainable solutions to mitigate dye-contaminated wastewater. This work presents a novel green-synthesized CuWO₄@SnWO₄ nanocomposite using <em>Aloe vera</em> extract via hydrothermal method for enhanced photocatalytic degradation of methylene blue (MB) under visible light. Structural analysis via XRD confirmed the formation of a monoclinic CuWO₄@SnWO₄ phase with an average crystallite size of 29.11 nm, indicating high crystallinity and defect-induced strain. FTIR spectra verified the presence of characteristic W<img>O, Cu<img>O, and Sn<img>O vibrational bands, validating the composite's structural integrity. SEM revealed interconnected, irregular flake-like morphologies with particle sizes centered around 47 μm, promoting higher surface area and charge transfer. Electrochemical characterizations using CV and EIS demonstrated strong redox activity and low charge transfer resistance (1.09 Ω), confirming efficient charge separation and mobility. UV–vis spectroscopy showed strong absorption in the visible range with a narrow band gap of 2.23 eV. Photocatalytic experiments exhibited remarkable degradation efficiency of 91 % for MB within 135 min, following zero-order kinetics. This highlights the composite's applicability for wastewater treatment. Future studies can further optimize morphology and explore other green precursors to expand practical deployment in environmental remediation.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"285 ","pages":"Article 117894"},"PeriodicalIF":2.6,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145693469","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}
The examination of newly developed heterogeneous Mobil Composition of Matter No. 41 (MCM-41) bound thiophene Schiff base and 1,10 phenanthroline mixed-ligands based nickel (II) complex in a one-pot multicomponent syntheses of bioactive polyhydroquinolines using different types of aldehydes (viz. electron donating, electron withdrawing, fused, disubstituted, unsaturated, heterocyclic and aliphatic substituents), ethylacetoacetate, dimedone and ammonium acetate has been carried out in ethanol under ultrasonication at room temperature for an hour. The synthesized materials were confirmed by fourier transform infra-red spectroscopy (FT-IR), powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), inductively coupled plasma-optical emission spectrometry (ICP-OES), thermogravimetric analysis (TGA) and N2 adsorption–desorption isotherm (BET). Our synthesized catalyst exhibits a wide range of substrate tolerance irrespective of the nature of substrates, steric factors, substituents and their positions and gave yields upto 96 % in short reaction time with simple work up procedure. The catalytic products were recrystalized by hot ethanol and were confirmed by 1H NMR and GC–MS spectral characterizations. Furthermore, the proposed system enhances the catalytic performance through its synergistic effect which effectively worked upto four consecutive cycles with maximum stability in the Hantzsch polyhydroquinoline reaction which was confirmed by the recyclability and leaching test.
{"title":"Flourishing bio-active Polyhydroquinolines via one-pot Hantzsch reaction using heterogeneous MCM-41 bound Ni (II) mixed-ligands complex","authors":"Narmatha Venkatesan, Sri Divya Selvakumar, Rajashri Varadarasu, Jayapratha Gunasekaran, Shanmuga Bharathi Kuppannan","doi":"10.1016/j.poly.2025.117889","DOIUrl":"10.1016/j.poly.2025.117889","url":null,"abstract":"<div><div>The examination of newly developed heterogeneous Mobil Composition of Matter No. 41 (MCM-41) bound thiophene Schiff base and 1,10 phenanthroline mixed-ligands based nickel (II) complex in a one-pot multicomponent syntheses of bioactive polyhydroquinolines using different types of aldehydes (viz. electron donating, electron withdrawing, fused, disubstituted, unsaturated, heterocyclic and aliphatic substituents), ethylacetoacetate, dimedone and ammonium acetate has been carried out in ethanol under ultrasonication at room temperature for an hour. The synthesized materials were confirmed by fourier transform infra-red spectroscopy (FT-IR), powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), inductively coupled plasma-optical emission spectrometry (ICP-OES), thermogravimetric analysis (TGA) and N<sub>2</sub> adsorption–desorption isotherm (BET). Our synthesized catalyst exhibits a wide range of substrate tolerance irrespective of the nature of substrates, steric factors, substituents and their positions and gave yields upto 96 % in short reaction time with simple work up procedure. The catalytic products were recrystalized by hot ethanol and were confirmed by <sup>1</sup>H NMR and GC–MS spectral characterizations. Furthermore, the proposed system enhances the catalytic performance through its synergistic effect which effectively worked upto four consecutive cycles with maximum stability in the Hantzsch polyhydroquinoline reaction which was confirmed by the recyclability and leaching test.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117889"},"PeriodicalIF":2.6,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577689","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}
Pub Date : 2025-11-17DOI: 10.1016/j.poly.2025.117895
Jun Yuan , Yong Wang , Lizhen Chen , Jianlong Wang
Bis(2,4-dinitro-1H-imidazol-1-yl)ethane (BDNIE) was synthesized in a single step from dibromoethane and 2,4-dinitroimidazole. The compound was fully characterized by X-ray single-crystal diffraction, nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, high-resolution mass spectrometry (HRMS), elemental analysis, and thermogravimetry-differential scanning calorimetry (TG-DSC). Theoretical detonation pressure (P) and velocity (vD) were calculated using Gaussian 09 and the K-J equation. Crystal structure analysis, combined with non-covalent interaction (NCI), energy framework, and Hirshfeld surface analyses, revealed an extensive network of hydrogen bonds and π-π interactions within the BDNIE crystal. These interactions contribute to its favorable density (1.77 g cm−3), excellent thermal stability (Td = 323.98 °C), acceptable detonation performance (vD = 7816 m s−1, P = 26.7 GPa), and low mechanical sensitivity (IS = 35 J, FS = 360 N). These advantages highlight the potential of BDNIE as an insensitive heat-resistant explosive.
{"title":"Synergistic non-covalent interactions for enhanced thermal stability in high-performance energetic materials: Bis(2,4-dinitro-1H-imidazolyl)ethane","authors":"Jun Yuan , Yong Wang , Lizhen Chen , Jianlong Wang","doi":"10.1016/j.poly.2025.117895","DOIUrl":"10.1016/j.poly.2025.117895","url":null,"abstract":"<div><div>Bis(2,4-dinitro-1H-imidazol-1-yl)ethane (BDNIE) was synthesized in a single step from dibromoethane and 2,4-dinitroimidazole. The compound was fully characterized by X-ray single-crystal diffraction, nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, high-resolution mass spectrometry (HRMS), elemental analysis, and thermogravimetry-differential scanning calorimetry (TG-DSC). Theoretical detonation pressure (P) and velocity (v<sub>D</sub>) were calculated using Gaussian 09 and the K-J equation. Crystal structure analysis, combined with non-covalent interaction (NCI), energy framework, and Hirshfeld surface analyses, revealed an extensive network of hydrogen bonds and <em>π</em>-<em>π</em> interactions within the BDNIE crystal. These interactions contribute to its favorable density (1.77 g cm<sup>−3</sup>), excellent thermal stability (T<sub>d</sub> = 323.98 °C), acceptable detonation performance (v<sub>D</sub> = 7816 m s<sup>−1</sup>, <em>P</em> = 26.7 GPa), and low mechanical sensitivity (IS = 35 J, FS = 360 N). These advantages highlight the potential of BDNIE as an insensitive heat-resistant explosive.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117895"},"PeriodicalIF":2.6,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577695","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}
Pub Date : 2025-11-17DOI: 10.1016/j.poly.2025.117893
Amel Y. Ahmed , Rizwan Shoukat , Abid Ali , Sheza Muqaddas , Imene Bayach , Norah Alsadun
Fabrication of durable and efficient electrocatalysts remains a key hurdle in the field of sustainable energy conversion, particularly for water-splitting via electrolysis. Herein, spun carbon nanotube fiber (CNTF) were functionalized with Well-Dowson-type polyoxometalate (POM) using simple drop casting method, which were then utilized as electrode materials for alkaline water oxidation. Scanning Electron Microscopy (SEM) analysis revealed effective integration of POM on CNTF, resulting in substantial surface area to volume ratio that promotes greater density of active sites for oxygen evolution reactions (OER) during water splitting reactions. X-rays Diffraction (XRD) pattern and Fourier Transform Infrared (FTIR) spectroscopy analysis conformed crystallinity and revealed the potential interactions between Wells-Dawson-type POM and CNT fibers. The POM@CNTF fibrous electrode delivered good performance by harnessing the beneficial interaction between POM and CNTF, relying on a low overpotential of 0.40 V with a current density of 10 mA cm−2. As fabricated fiber-based microelectrode demonstrated the reasonable stability with maintaining the continuous electrolysis for 5 h in 0.1 M of KOH solution. The splendid performance with ease of fabrication could make these materials as promising alternative for the bench mark materials in OER.
制造耐用和高效的电催化剂仍然是可持续能源转换领域的一个关键障碍，特别是通过电解分解水。本文采用简单滴铸法制备了well - dowson型聚金属氧酸盐（POM）功能化碳纳米管纤维（CNTF），并将其作为碱水氧化的电极材料。扫描电子显微镜（SEM）分析显示，POM在CNTF上的有效整合，导致大量的表面积与体积比，从而促进了水分解反应中析氧反应（OER）的活性位点密度。x射线衍射（XRD）图和傅里叶变换红外（FTIR）光谱分析符合结晶度，揭示了wells - dawson型POM与碳纳米管纤维之间潜在的相互作用。POM@CNTF纤维电极通过利用POM和CNTF之间的有益相互作用，依靠0.40 V的低过电位和10 mA cm−2的电流密度，提供了良好的性能。所制备的纤维基微电极在0.1 M的KOH溶液中连续电解5 h，表现出合理的稳定性。这些材料具有优异的性能和易于制造的特点，有望成为OER基准材料的替代材料。
{"title":"Polyoxometalate modified CNTs fiber electrode as efficient electrocatalyst towards water splitting reactions","authors":"Amel Y. Ahmed , Rizwan Shoukat , Abid Ali , Sheza Muqaddas , Imene Bayach , Norah Alsadun","doi":"10.1016/j.poly.2025.117893","DOIUrl":"10.1016/j.poly.2025.117893","url":null,"abstract":"<div><div>Fabrication of durable and efficient electrocatalysts remains a key hurdle in the field of sustainable energy conversion, particularly for water-splitting via electrolysis. Herein, spun carbon nanotube fiber (CNTF) were functionalized with Well-Dowson-type polyoxometalate (POM) using simple drop casting method, which were then utilized as electrode materials for alkaline water oxidation. Scanning Electron Microscopy (SEM) analysis revealed effective integration of POM on CNTF, resulting in substantial surface area to volume ratio that promotes greater density of active sites for oxygen evolution reactions (OER) during water splitting reactions. X-rays Diffraction (XRD) pattern and Fourier Transform Infrared (FTIR) spectroscopy analysis conformed crystallinity and revealed the potential interactions between Wells-Dawson-type POM and CNT fibers. The POM@CNTF fibrous electrode delivered good performance by harnessing the beneficial interaction between POM and CNTF, relying on a low overpotential of 0.40 V with a current density of 10 mA cm<sup>−2</sup>. As fabricated fiber-based microelectrode demonstrated the reasonable stability with maintaining the continuous electrolysis for 5 h in 0.1 M of KOH solution. The splendid performance with ease of fabrication could make these materials as promising alternative for the bench mark materials in OER.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117893"},"PeriodicalIF":2.6,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577690","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}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号