Pub Date : 2026-02-01Epub Date: 2025-11-15DOI: 10.1016/j.poly.2025.117890
Ziyi Wu, Sheng Hu
This work synthesizes and characterizes three distinct crystalline materials: a hydrogen-bonding cocrystal [2(H3cta)·2(bztpy)·MeOH·H2O] (1) formed between 1,3,5-cyclohexanetricarboxylic acid (H3cta) and 1,2,4,5-tetra(4-pyridyl)benzene (bztpy), an eight-connected cadmium coordination polymer [Cd3(cta)2(bztpy)2]·3H2O (2), and a tetranuclear cobalt cluster coordination polymer [Co4(OH)2(cta)2(bztpy)2]·7H2O (3). 1 exhibits a layered arrangement where H3cta suppress π⋯π stacking between bztpy molecules providing a structural model for discussing the luminescent properties of bztpy, while 2 assembles into a unique 3D topology via carboxylate-bridged CdII centers and tridentate bztpy linkers exhibiting a LMCT emission mechanism distinct from 1. Cluster 3 features octahedral CoII centers interconnected by μ3-OH− bridges and antiferromagnetic coupling pathways, extending into a rare 3,8-connected magnetic framework. This work underscores how hydrogen bonding, ligand conformation, and metal-ligand coordination collectively dictate structural and functional properties in assemblies systems.
{"title":"Ligand-dictated topology in cta/bztpy systems: from hierarchical assembly of luminescent cocrystal to CdII/CoII cluster frameworks","authors":"Ziyi Wu, Sheng Hu","doi":"10.1016/j.poly.2025.117890","DOIUrl":"10.1016/j.poly.2025.117890","url":null,"abstract":"<div><div>This work synthesizes and characterizes three distinct crystalline materials: a hydrogen-bonding cocrystal [2(H<sub>3</sub>cta)·2(bztpy)·MeOH·H<sub>2</sub>O] (<strong>1</strong>) formed between 1,3,5-cyclohexanetricarboxylic acid (H<sub>3</sub>cta) and 1,2,4,5-tetra(4-pyridyl)benzene (bztpy), an eight-connected cadmium coordination polymer [Cd<sub>3</sub>(cta)<sub>2</sub>(bztpy)<sub>2</sub>]·3H<sub>2</sub>O (<strong>2</strong>), and a tetranuclear cobalt cluster coordination polymer [Co<sub>4</sub>(OH)<sub>2</sub>(cta)<sub>2</sub>(bztpy)<sub>2</sub>]·7H<sub>2</sub>O (<strong>3</strong>). <strong>1</strong> exhibits a layered arrangement where H<sub>3</sub>cta suppress π⋯π stacking between bztpy molecules providing a structural model for discussing the luminescent properties of bztpy, while <strong>2</strong> assembles into a unique 3D topology via carboxylate-bridged Cd<sup>II</sup> centers and tridentate bztpy linkers exhibiting a LMCT emission mechanism distinct from <strong>1</strong>. Cluster <strong>3</strong> features octahedral Co<sup>II</sup> centers interconnected by <em>μ</em><sub>3</sub>-OH<sup>−</sup> bridges and antiferromagnetic coupling pathways, extending into a rare 3,8-connected magnetic framework. This work underscores how hydrogen bonding, ligand conformation, and metal-ligand coordination collectively dictate structural and functional properties in assemblies systems.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117890"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577696","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 : 2026-02-01Epub Date: 2025-11-12DOI: 10.1016/j.poly.2025.117885
Dennis Awasabisah , Jack F. Gangemi , Nobuyuki Yamamoto
The iridium(III) nitrato complex, IrCl2(η2-O2NO)(PPh3)2 has been prepared from the air exposure of a CH2Cl2 solution of IrCl3(n-BuONO)(PPh3)2, which is an adduct generated when IrCl3(PPh3)2 is treated with n-BuONO. Both complexes IrCl2(η2-O2NO)(PPh3)2 and IrCl3(n- BuONO)(PPh3)2 have been characterized by IR, 1H NMR, 31P NMR, mass spectrometry, and elemental analysis. The X-ray crystal structure of IrCl2(η2-O2NO)(PPh3)2 reveals a pseudo-octahedral complex with the nitrato ligand bound to Ir in a bidentate fashion. The IrCl2(η2-O2NO)(PPh3)2 complex is air-stable as solid, but reacts with CO and NO in CH2Cl2 solution to produce IrCl2(CO)(η1-ONO2)(PPh3)2 and IrCl2(NO)(η1-ONO2)(PPh3)2, respectively as evidenced by MS and IR spectral data. Cyclic voltammetry and DFT calculations of the frontier molecular orbitals (FMO) of IrCl2(η2-ONO2)(PPh3)2 suggest reduction occurs at the nitrato region, while reduction of IrCl3(n-BuONO)(PPh3)2 occurs in the vicinity of the IrN(=O) − OR moiety. Additionally, the DFT calculations support the spectroscopic data and the electrochemical behaviors of the complexes.
{"title":"Synthesis and characterization of dichloro-η2-nitratobis(triphenylphosphine)iridium(III)","authors":"Dennis Awasabisah , Jack F. Gangemi , Nobuyuki Yamamoto","doi":"10.1016/j.poly.2025.117885","DOIUrl":"10.1016/j.poly.2025.117885","url":null,"abstract":"<div><div>The iridium(III) nitrato complex, IrCl<sub>2</sub>(<em>η</em><sup>2</sup>-<em>O</em><sub>2</sub>NO)(PPh<sub>3</sub>)<sub>2</sub> has been prepared from the air exposure of a CH<sub>2</sub>Cl<sub>2</sub> solution of IrCl<sub>3</sub>(<em>n</em>-BuONO)(PPh<sub>3</sub>)<sub>2</sub>, which is an adduct generated when IrCl<sub>3</sub>(PPh<sub>3</sub>)<sub>2</sub> is treated with <em>n</em>-BuONO. Both complexes IrCl<sub>2</sub>(<em>η</em><sup>2</sup>-<em>O</em><sub>2</sub>NO)(PPh<sub>3</sub>)<sub>2</sub> and IrCl<sub>3</sub>(<em>n</em><em>-</em> BuONO)(PPh<sub>3</sub>)<sub>2</sub> have been characterized by IR, <sup>1</sup>H NMR, <sup>31</sup>P NMR, mass spectrometry, and elemental analysis. The X-ray crystal structure of IrCl<sub>2</sub>(<em>η</em><sup>2</sup>-<em>O</em><sub>2</sub>NO)(PPh<sub>3</sub>)<sub>2</sub> reveals a pseudo-octahedral complex with the nitrato ligand bound to Ir in a bidentate fashion. The IrCl<sub>2</sub>(<em>η</em><sup>2</sup>-<em>O</em><sub>2</sub>NO)(PPh<sub>3</sub>)<sub>2</sub> complex is air-stable as solid, but reacts with CO and NO in CH<sub>2</sub>Cl<sub>2</sub> solution to produce IrCl<sub>2</sub>(CO)(<em>η</em><sup>1</sup>-<em>O</em>NO<sub>2</sub>)(PPh<sub>3</sub>)<sub>2</sub> and IrCl<sub>2</sub>(NO)(<em>η</em><sup>1</sup>-<em>O</em>NO<sub>2</sub>)(PPh<sub>3</sub>)<sub>2</sub>, respectively as evidenced by MS and IR spectral data. Cyclic voltammetry and DFT calculations of the frontier molecular orbitals (FMO) of IrCl<sub>2</sub>(<em>η</em><sup>2</sup>-<em>O</em>NO<sub>2</sub>)(PPh<sub>3</sub>)<sub>2</sub> suggest reduction occurs at the nitrato region, while reduction of IrCl<sub>3</sub>(<em>n</em>-BuONO)(PPh<sub>3</sub>)<sub>2</sub> occurs in the vicinity of the IrN(=O) − OR moiety. Additionally, the DFT calculations support the spectroscopic data and the electrochemical behaviors of the complexes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117885"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577751","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 : 2026-02-01Epub Date: 2025-11-12DOI: 10.1016/j.poly.2025.117874
Muhammad Waheed Mushtaq , Muhammad Shahbaz , Farah Kanwal , Areeba Khursheed , Asma Ahmad , Shahzad Sharif , Zeeshan Mustafa , Shahid Bashir , Kainat Ali
Cobalt ferrites (CF) nanoparticles were synthesized by hydrothermal method. Cerium doping as well as incorporation of conductive polymers like polypyrrole (PPy) and polyaniline (PANI) via in situ polymerization were carried out to enhance electrochemical performance. Structural characterization was performed using Fourier-transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), atomic force microscopy (AFM), dynamic light scattering (DLS) and transmission electron microscope (TEM). Electrochemical attributes of synthesized materials were divulged in three-electrode set up with 1 M KOH electrolyte. CF displayed specific capacity of 62 C/g which was improved to 83.3 C/g by doping with cerium. Use of conductive polymer unlocked the extraordinary potential of cerium doped CF exhibiting specific capacity of 90 C/g and 130.6 C/g for CeCF-2@PANI and CeCF-2@PPy. Practical applications of CeCF-2@PPy were also authenticated by fabricating it against activated carbon (AC) forming hybrid supercapacitor which showed specific capacity of 67.98 C/g with specific energy of 13.5 Wh/kg and specific power of 993.3 W/kg at 1 A/g. The stability test was performed by running the device for 5000 GCD cycles which exhibited 99 % coulombic efficiency. Such marvelous properties of the nanocomposite are attributed to cerium doping incorporated with PPy which can serve as a torch bearer for the enthusiastic researchers to implement the idea on novel materials to design efficient electrode materials for futuristic energy storage devices.
{"title":"Nano-composites of rare earth cerium metal doped cobalt ferrites with conducting polymers for hybrid supercapacitors","authors":"Muhammad Waheed Mushtaq , Muhammad Shahbaz , Farah Kanwal , Areeba Khursheed , Asma Ahmad , Shahzad Sharif , Zeeshan Mustafa , Shahid Bashir , Kainat Ali","doi":"10.1016/j.poly.2025.117874","DOIUrl":"10.1016/j.poly.2025.117874","url":null,"abstract":"<div><div>Cobalt ferrites (CF) nanoparticles were synthesized by hydrothermal method. Cerium doping as well as incorporation of conductive polymers like polypyrrole (PPy) and polyaniline (PANI) via in situ polymerization were carried out to enhance electrochemical performance. Structural characterization was performed using Fourier-transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), atomic force microscopy (AFM), dynamic light scattering (DLS) and transmission electron microscope (TEM). Electrochemical attributes of synthesized materials were divulged in three-electrode set up with 1 M KOH electrolyte. CF displayed specific capacity of 62 C/g which was improved to 83.3 C/g by doping with cerium. Use of conductive polymer unlocked the extraordinary potential of cerium doped CF exhibiting specific capacity of 90 C/g and 130.6 C/g for CeCF-2@PANI and CeCF-2@PPy. Practical applications of CeCF-2@PPy were also authenticated by fabricating it against activated carbon (AC) forming hybrid supercapacitor which showed specific capacity of 67.98 C/g with specific energy of 13.5 Wh/kg and specific power of 993.3 W/kg at 1 A/g. The stability test was performed by running the device for 5000 GCD cycles which exhibited 99 % coulombic efficiency. Such marvelous properties of the nanocomposite are attributed to cerium doping incorporated with PPy which can serve as a torch bearer for the enthusiastic researchers to implement the idea on novel materials to design efficient electrode materials for futuristic energy storage devices.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117874"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145528098","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}
Complexes of diethyl (5-ethyl-2-hydroxy-3-nitrophenyl)phosphonate with uranyl and neptunyl nitrates [UO2(HL1)2(NO3)2] and [NpO2(HL1)2(NO3)2] were synthesized and characterized for the first time. A procedure was developed for the preparation of diethyl (5-ethyl-2-hydroxy-3-nitrophenyl)phosphonate by nitration of diethyl (5-ethyl-2-hydroxyphenyl)phosphonate with a solution of uranyl nitrate in acetonitrile, in the form of the complex [UO2(HL1)2(NO3)2]. Using HCl, uranyl could be separated from the complex and, thus, the uncoordinated ligand HL1 could be isolated and identified, which was subsequently used to prepare the complex [NpO2(HL1)2(NO3)2] and in solvent extraction experiments. The extraction of U(VI) and Pu(VI) by HL1 in 1,2-dichloroethane and meta-trifluoromethylnitrobenzene from nitric acid solutions was investigated.
{"title":"Synthesis of diethyl (5-ethyl-2-hydroxy-3-nitrophenyl)phosphonate and its complexation properties towards hexavalent actinides: crystal structure and solvent extraction studies","authors":"Alina Sivolap , Vladimir Baulin , Yuliana Rogacheva , Dmitriy Baulin , Alexander Fedoseev , Mikhail Grigoriev , Vladislav Sharov , Galina Kostikova","doi":"10.1016/j.poly.2025.117868","DOIUrl":"10.1016/j.poly.2025.117868","url":null,"abstract":"<div><div>Complexes of diethyl (5-ethyl-2-hydroxy-3-nitrophenyl)phosphonate with uranyl and neptunyl nitrates [UO<sub>2</sub>(HL<sup>1</sup>)<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>] and [NpO<sub>2</sub>(HL<sup>1</sup>)<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>] were synthesized and characterized for the first time. A procedure was developed for the preparation of diethyl (5-ethyl-2-hydroxy-3-nitrophenyl)phosphonate by nitration of diethyl (5-ethyl-2-hydroxyphenyl)phosphonate with a solution of uranyl nitrate in acetonitrile, in the form of the complex [UO<sub>2</sub>(HL<sup>1</sup>)<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>]. Using HCl, uranyl could be separated from the complex and, thus, the uncoordinated ligand HL<sup>1</sup> could be isolated and identified, which was subsequently used to prepare the complex [NpO<sub>2</sub>(HL<sup>1</sup>)<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>] and in solvent extraction experiments. The extraction of U(VI) and Pu(VI) by HL<sup>1</sup> in 1,2-dichloroethane and meta-trifluoromethylnitrobenzene from nitric acid solutions was investigated.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117868"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145528099","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 : 2026-02-01Epub Date: 2025-11-05DOI: 10.1016/j.poly.2025.117872
Qianzhe Zhang, Zehai Xu, Guoliang Zhang
Phenolic compounds are among the most harmful pollutants in industrial wastewater and they have long been regarded as notorious in water treatment because of their high toxicity and resistance to degradation. Metal-organic frameworks (MOFs) are highly promising for the removal of phenolic pollutants from water owing to their exceptional properties, including ultrahigh surface area, customizable porosity, well-defined crystallinity, and strong affinity for phenolic molecules. However, due to limitations of pristine MOFs (e.g., poor stability, slow response, and low selectivity), functional design of MOF-based materials is needed to improve their efficacy in the treatment of phenolic pollutants in water. In this review, we provide an in-depth analysis of the design and fabrication of MOF-based nanomaterials by combining MOFs with metals, oxidants, polymers, biomaterials, enzymes, and other components to enhance the performance of these engineered nano-tools in the treatment of aquatic phenolic pollutants. Among these designs, detectors are designed using MOF-based materials with excellent colorimetric/luminescent responses and outstanding electrochemical properties; Adsorbents are constructed from MOF-based composites that utilize synergistic effects including H-bonding, π-π interactions, electrostatic forces, and donor-acceptor effects for strong phenolic contaminant adsorption; catalysts are obtained through MOF hybrid nanostructures that can advantageously employ electro-/photocatalysis, catalytic reduction, and enzymatic pathways. These three categories of designed nano-tools pave a new pathway for MOF-based nanomaterials in industrial wastewater treatment of phenolic pollutants.
{"title":"Current roles of metal-organic framework-based materials for the treatment of aquatic phenolic pollutants: detectors, adsorbents, and catalysts","authors":"Qianzhe Zhang, Zehai Xu, Guoliang Zhang","doi":"10.1016/j.poly.2025.117872","DOIUrl":"10.1016/j.poly.2025.117872","url":null,"abstract":"<div><div>Phenolic compounds are among the most harmful pollutants in industrial wastewater and they have long been regarded as notorious in water treatment because of their high toxicity and resistance to degradation. Metal-organic frameworks (MOFs) are highly promising for the removal of phenolic pollutants from water owing to their exceptional properties, including ultrahigh surface area, customizable porosity, well-defined crystallinity, and strong affinity for phenolic molecules. However, due to limitations of pristine MOFs (<em>e.g.</em>, poor stability, slow response, and low selectivity), functional design of MOF-based materials is needed to improve their efficacy in the treatment of phenolic pollutants in water. In this review, we provide an in-depth analysis of the design and fabrication of MOF-based nanomaterials by combining MOFs with metals, oxidants, polymers, biomaterials, enzymes, and other components to enhance the performance of these engineered nano-tools in the treatment of aquatic phenolic pollutants. Among these designs, detectors are designed using MOF-based materials with excellent colorimetric/luminescent responses and outstanding electrochemical properties; Adsorbents are constructed from MOF-based composites that utilize synergistic effects including H-bonding, π-π interactions, electrostatic forces, and donor-acceptor effects for strong phenolic contaminant adsorption; catalysts are obtained through MOF hybrid nanostructures that can advantageously employ electro-/photocatalysis, catalytic reduction, and enzymatic pathways. These three categories of designed nano-tools pave a new pathway for MOF-based nanomaterials in industrial wastewater treatment of phenolic pollutants.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117872"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479275","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}
A novel fluorescent chemosensor, designated as L, was synthesized for the detection of Hg2+ ions through the reaction of 2-methoxy-5-methyl aniline with pyridine-2-carboxaldehyde. The presence of Hg2+ resulted in a significant reduction in fluorescence. This sensor demonstrated the ability to quantify Hg2+ in aqueous samples at a pH of 4.4, and in vitro experiments with A549 cells exhibited fluorescence in the presence of Hg2+.The detection limit for chemosensor L was determined to be 0.392 μM, indicating its potential as a highly sensitive detector for Hg2+. Additionally, we successfully obtained single crystals of the HgCl2L complex and characterized it using various spectroscopic techniques e.g., FT- IR, UV- Vis and SCXRD. Various significant stretching frequencies corresponding to C(H) = N, CO of methoxy group as well as (Hg − N) + (Hg − O) bonds are observed in FT- IR spectra, whereas the UV- Visible spectra clearly shows some intense absorption bands regarding ILCT. A series of experiments were conducted to detect Hg2+ in living cells and embryonic zebrafish using chemosensor L.
{"title":"Design of an NNO-based fluorogenic chemosensor for Hg2+ ion detection: Structural characterization and biological imaging in cells and zebrafish","authors":"Deboshmita Mukherjee , Dilip Sarkar , Rahul Kumar Singh , Md. Bakibillah , Arpita Das , Anoop Kumar , Rambabu Dandela , Samudra Gupta , Subhra Prakash Hui , Rajesh Kumar Das","doi":"10.1016/j.poly.2025.117873","DOIUrl":"10.1016/j.poly.2025.117873","url":null,"abstract":"<div><div>A novel fluorescent chemosensor, designated as <strong>L</strong>, was synthesized for the detection of Hg<sup>2+</sup> ions through the reaction of 2-methoxy-5-methyl aniline with pyridine-2-carboxaldehyde. The presence of Hg<sup>2+</sup> resulted in a significant reduction in fluorescence. This sensor demonstrated the ability to quantify Hg<sup>2+</sup> in aqueous samples at a pH of 4.4, and in vitro experiments with A549 cells exhibited fluorescence in the presence of Hg<sup>2+</sup>.The detection limit for chemosensor <strong>L</strong> was determined to be 0.392 μM, indicating its potential as a highly sensitive detector for Hg<sup>2+</sup>. Additionally, we successfully obtained single crystals of the HgCl<sub>2</sub>L complex and characterized it using various spectroscopic techniques e.g., FT- IR, UV- Vis and SCXRD. Various significant stretching frequencies corresponding to C(H) = N, C<img>O of methoxy group as well as (Hg − N) + (Hg − O) bonds are observed in FT- IR spectra, whereas the UV- Visible spectra clearly shows some intense absorption bands regarding ILCT. A series of experiments were conducted to detect Hg<sup>2+</sup> in living cells and embryonic zebrafish using chemosensor <strong>L</strong>.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117873"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145528102","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 : 2026-02-01Epub Date: 2025-12-09DOI: 10.1016/j.poly.2025.117929
Hafsia Tlili , Ahlem Guesmi , Sandra Walha , Noureddine Mhadhbi , Ali Ben Ahmed , Naoufel Ben Hamadi , Fehmi Boufahja , Houcine Naïli
The newly synthesized organic–inorganic hybrid compound (C7H11N2)2[HgBr4]·H₂O (1) was obtained via slow evaporation method at room temperature and characterized by single-crystal X-ray diffraction, supported by density functional theory. The crystal structure belongs to the triclinic system and adopts the P-1 space group, comprising two (C7H11N2)+ cations, one [HgBr4]2− anion, and a water molecule. These units are connected through N–H···Br, O–H···Br, and O–H···O hydrogen bonds, stabilizing the three-dimensional framework. To gain deeper insight into the crystal packing, Hirshfeld surface analysis was employed, highlighting the significant contributions of H···Br (59.8 %) and H···O (10.5 %) interactions in governing the intermolecular contacts and stabilizing the lattice. In parallel, the optical properties of compound (1) were systematically explored using UV–Vis absorption spectroscopy. The optical band gap, derived from Tauc plot analysis, suggests that the material possesses a semiconducting nature, positioning it as a potential candidate for optoelectronic applications. Furthermore, the biological potential of the compound was assessed through comprehensive antioxidant, antimicrobial, and anti-inflammatory activity assays. The compound exhibited notable free radical scavenging ability, broad-spectrum antimicrobial effects, and significant inhibition of inflammatory markers, indicating its promise as a multifunctional bioactive agent. Additionally, preliminary toxicity evaluations were conducted, showing acceptable biocompatibility levels within the tested concentrations, thus supporting its potential for biomedical applications. The combination of structural, optical, and biological features positions compound (1) as a promising material for optoelectronic and biomedical applications.
{"title":"Synthesis, crystal structure, and multifunctional properties of a tetrabromomercurate(II) hybrid with protonated 4-(dimethylamino)pyridine","authors":"Hafsia Tlili , Ahlem Guesmi , Sandra Walha , Noureddine Mhadhbi , Ali Ben Ahmed , Naoufel Ben Hamadi , Fehmi Boufahja , Houcine Naïli","doi":"10.1016/j.poly.2025.117929","DOIUrl":"10.1016/j.poly.2025.117929","url":null,"abstract":"<div><div>The newly synthesized organic–inorganic hybrid compound (C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)<sub>2</sub>[HgBr<sub>4</sub>]·H₂O (<strong>1</strong>) was obtained via slow evaporation method at room temperature and characterized by single-crystal X-ray diffraction, supported by density functional theory. The crystal structure belongs to the triclinic system and adopts the <em>P-1</em> space group, comprising two (C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)<sup>+</sup> cations, one [HgBr<sub>4</sub>]<sup>2−</sup> anion, and a water molecule. These units are connected through N–H···Br, O–H···Br, and O–H···O hydrogen bonds, stabilizing the three-dimensional framework. To gain deeper insight into the crystal packing, Hirshfeld surface analysis was employed, highlighting the significant contributions of H···Br (59.8 %) and H···O (10.5 %) interactions in governing the intermolecular contacts and stabilizing the lattice. In parallel, the optical properties of compound <strong>(1)</strong> were systematically explored using UV–Vis absorption spectroscopy. The optical band gap, derived from Tauc plot analysis, suggests that the material possesses a semiconducting nature, positioning it as a potential candidate for optoelectronic applications. Furthermore, the biological potential of the compound was assessed through comprehensive antioxidant, antimicrobial, and anti-inflammatory activity assays. The compound exhibited notable free radical scavenging ability, broad-spectrum antimicrobial effects, and significant inhibition of inflammatory markers, indicating its promise as a multifunctional bioactive agent. Additionally, preliminary toxicity evaluations were conducted, showing acceptable biocompatibility levels within the tested concentrations, thus supporting its potential for biomedical applications. The combination of structural, optical, and biological features positions compound (<strong>1</strong>) as a promising material for optoelectronic and biomedical applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"285 ","pages":"Article 117929"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748528","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 : 2026-02-01Epub Date: 2025-11-29DOI: 10.1016/j.poly.2025.117912
Ibrahim I. Ozturk , Okan Ucar , Anita M. Grześkiewicz , Maciej Kubicki , Christina N. Banti , Sotiris K. Hadjikakou
This study reports the successful synthesis and detailed characterization of three novel antimony(III) complexes with the general formulas [SbL4Cl2]·L·Cl (1), [SbL3Cl3] (2), and [SbL3Br3] (3), where “L” denotes a thiosemicarbazone derivative containing a benzene moiety. The complexes were obtained in excellent yields and exhibited high stability in both solid and solution states. Comprehensive spectroscopic analyses and single-crystal X-ray diffraction confirmed the monodentate coordination of the neutral thiosemicarbazone ligands to the Sb(III) center via the sulfur donor atom. The biological evaluation indicated that the complexes display enhanced antiproliferative activity against HeLa cervical cancer cells compared to their free ligands, suggesting their potential as anticancer agents. Additionally, the complexes demonstrated appreciable antibacterial activity, particularly against E. coli and S. epidermidis, indicating their promise as antimicrobial agents. Overall, this research advances the understanding of antimony(III) thiosemicarbazone complexes and highlights their potential relevance in drug development.
{"title":"Antimony(III) complexes of benzaldehyde thiosemicarbazones: Synthesis, structural analysis, and biological evaluation","authors":"Ibrahim I. Ozturk , Okan Ucar , Anita M. Grześkiewicz , Maciej Kubicki , Christina N. Banti , Sotiris K. Hadjikakou","doi":"10.1016/j.poly.2025.117912","DOIUrl":"10.1016/j.poly.2025.117912","url":null,"abstract":"<div><div>This study reports the successful synthesis and detailed characterization of three novel antimony(III) complexes with the general formulas [SbL<sub>4</sub>Cl<sub>2</sub>]·L·Cl (<strong>1</strong>), [SbL<sub>3</sub>Cl<sub>3</sub>] (<strong>2</strong>), and [SbL<sub>3</sub>Br<sub>3</sub>] (<strong>3</strong>), where “L” denotes a thiosemicarbazone derivative containing a benzene moiety. The complexes were obtained in excellent yields and exhibited high stability in both solid and solution states. Comprehensive spectroscopic analyses and single-crystal X-ray diffraction confirmed the monodentate coordination of the neutral thiosemicarbazone ligands to the Sb(III) center via the sulfur donor atom. The biological evaluation indicated that the complexes display enhanced antiproliferative activity against HeLa cervical cancer cells compared to their free ligands, suggesting their potential as anticancer agents. Additionally, the complexes demonstrated appreciable antibacterial activity, particularly against <em>E. coli</em> and <em>S. epidermidis</em>, indicating their promise as antimicrobial agents. Overall, this research advances the understanding of antimony(III) thiosemicarbazone complexes and highlights their potential relevance in drug development.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"285 ","pages":"Article 117912"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145693375","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}
A new fluorescent coordination polymer [Zn(Ad)(1,4-NDC)(H2O)], SSICG-19, has been synthesized with Zn2+ nodes, adenine (Ad), and 1,4-NDC (1,4-naphthalene dicarboxylic acid) using the solvothermal method. SSICG-19 has a one-dimensional structure formed by the connectivity of adenine with a zinc ion, where 1,4-NDC remains as a pendant ligand connected to the zinc ion, along with a coordinated water molecule. SSICG-19 can selectively detect TNP (nitro explosive) based on the fluorescence turn-off mechanism. In the presence of TNP, the fluorescence intensity of the SSICG-19 is completely quenched, and it shows a low detection limit of 0.422 ppm. Additionally, the labile coordinated water molecule in SSICG-19 generates active metal sites that serve as Lewis acidic centers, which, in combination with Lewis basic sites present in the coordination polymer (-NH2 groups of adenine), provide bifunctional catalytic activity. Therefore, SSICG-19 efficiently catalyzes the multicomponent Hantzsch condensation reaction for the one-pot synthesis of bioactive dihydropyridines (DHPs) under mild conditions.
{"title":"1D Zn-adenine coordination polymer for nitro explosive sensing and Hantzsch catalysis","authors":"Sneha Singh, Rajesh Patra, Sumit Mondal, Amit, Debajit Sarma","doi":"10.1016/j.poly.2025.117897","DOIUrl":"10.1016/j.poly.2025.117897","url":null,"abstract":"<div><div>A new fluorescent coordination polymer <strong>[Zn(Ad)(1,4-NDC)(H</strong><sub><strong>2</strong></sub><strong>O)], <em>SSICG-19,</em></strong> has been synthesized with Zn<sup>2+</sup> nodes, adenine (Ad), and 1,4-NDC (1,4-naphthalene dicarboxylic acid) using the solvothermal method. <strong><em>SSICG-19</em></strong> has a one-dimensional structure formed by the connectivity of adenine with a zinc ion, where 1,4-NDC remains as a pendant ligand connected to the zinc ion, along with a coordinated water molecule. <strong><em>SSICG-19</em></strong> can selectively detect TNP (nitro explosive) based on the fluorescence turn-off mechanism. In the presence of TNP, the fluorescence intensity of the <strong><em>SSICG-19</em></strong> is completely quenched, and it shows a low detection limit of 0.422 ppm. Additionally, the labile coordinated water molecule in <strong><em>SSICG-19</em></strong> generates active metal sites that serve as Lewis acidic centers, which, in combination with Lewis basic sites present in the coordination polymer (-NH<sub>2</sub> groups of adenine), provide bifunctional catalytic activity. Therefore, <strong><em>SSICG-19</em></strong> efficiently catalyzes the multicomponent Hantzsch condensation reaction for the one-pot synthesis of bioactive dihydropyridines (DHPs) under mild conditions.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117897"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621349","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 : 2026-02-01Epub 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":"2026-02-01","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}
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