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Phyto-fabrication and characterization of ZnFe2O4@AC nanocomposite catalyst via green pathway and its application for the synthesis of some Quinazolin-4(1H)-one derivatives
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-06 DOI: 10.1016/j.poly.2025.117438
Sampat R. Shingda , Pranali H. Hadole , Hemant M. Alone , Kailas A. More , Anirudhha Mondal , Mohd Afzal , Ajay K. Potbhare , Sudip Mondal , Nilesh V. Gandhare
{"title":"Phyto-fabrication and characterization of ZnFe2O4@AC nanocomposite catalyst via green pathway and its application for the synthesis of some Quinazolin-4(1H)-one derivatives","authors":"Sampat R. Shingda ,&nbsp;Pranali H. Hadole ,&nbsp;Hemant M. Alone ,&nbsp;Kailas A. More ,&nbsp;Anirudhha Mondal ,&nbsp;Mohd Afzal ,&nbsp;Ajay K. Potbhare ,&nbsp;Sudip Mondal ,&nbsp;Nilesh V. Gandhare","doi":"10.1016/j.poly.2025.117438","DOIUrl":"10.1016/j.poly.2025.117438","url":null,"abstract":"<div><div>Green fabrication of nanocatalyst have been used in numerous organic reactions, due to its admirable catalytical, electrical, and mechanical properties. Especially, phyto-fabrication of carbon supported nanocatalyst achieved exceptional yield with small amount of catalyst loading in organic transformations, this unique nature of catalyst based on reactivity and renewability makes this material as an efficient, outstanding, and ecofriendly nanocatalyst. In the present study, ZnFe<sub>2</sub>O<sub>4</sub>@AC nanocomposites (NCs) were synthesized by co-precipitation method using leaves extract of <em>Careya arborea.</em> Moreover, synthesized ZnFe<sub>2</sub>O<sub>4</sub>@AC NCs were characterized by XRD, EDS, FE-SEM and HR-TEM. The XRD reveals <em>cubic</em> phase with high crystallinity. While, EDS analysis confirmed elemental purity of the ZnFe<sub>2</sub>O<sub>4</sub>@AC NCs and showed the carbon blending. However, HR-TEM images shown the <em>cubic</em> shape with an average size in the range of 18–22 nm. The obtained ZnFe<sub>2</sub>O<sub>4</sub>@AC NCs shows catalytic properties, which is applicable for organic transformation of derivatives of Quinazolin-4(1H)-one. These Quinazolin-4(1H)-one derivatives have been accomplished with single step reaction between aromatic aldehydes and 2-aminobenzamide at room temperature. Different aromatic aldehydes substrates were used for the preparation of Quinazolin-4(1H)-one derivatives. The spectroscopic data of FT-IR, <sup>1</sup>H NMR and <sup>13</sup>C NMR authenticates the formation of Quinazolin-4(1H)-one derivatives. Synthetic data of derivatives demonstrated that 20 mg of catalyst loading achieved remarkable 96 % yield in ethanol. The outcomes of the prepared derivatives confirm the purity of the organic compound, which offering protocol for organic transformation have some potential features such as a simple procedure, short reaction time, mild reaction conditions, easy workup, and high yield of products.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"270 ","pages":"Article 117438"},"PeriodicalIF":2.4,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419055","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
Partial atomic charge of the ion in Gd complexes with acidic ligands can predict complex stability
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-04 DOI: 10.1016/j.poly.2025.117430
Samuel A. Fosu , Gerra L. Licup , David C. Cantu
{"title":"Partial atomic charge of the ion in Gd complexes with acidic ligands can predict complex stability","authors":"Samuel A. Fosu ,&nbsp;Gerra L. Licup ,&nbsp;David C. Cantu","doi":"10.1016/j.poly.2025.117430","DOIUrl":"10.1016/j.poly.2025.117430","url":null,"abstract":"<div><div>Complexes of gadolinium (Gd) with dodecane tetraacetic acid (DOTA) are widely used as contrasting agents in magnetic resonance imaging. However, concerns over potential toxicity to humans due to the possible unbinding of the Gd ion from the ligand has inspired research efforts into developing more stable Gd<sup>3+</sup> chelating agents. Using molecular dynamics simulations and electronic structure calculations, we investigated the structural factors influencing the stability of Gd complexes with DOTA and DOTA-based ligands.<!--> <!-->The calculated relative binding energies,<!--> <!-->derived from all-electron single-point energy calculations,<!--> <!-->showed a strong correlation with experimental stability constants,<!--> <!-->validating the predictive ability of our computational protocol.<!--> <!-->A partial atomic charge model that considers both electrostatics and molecular polarity (CM5) showed a very strong correlation between the partial charge of the Gd ion in the complexes with experimentally measured stability constants and computationally derived binding energies,<!--> <!-->providing a simple yet effective descriptor of stability for Gd-DOTA and related complexes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"270 ","pages":"Article 117430"},"PeriodicalIF":2.4,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143360840","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
Identification of Yb and Ce complexes containing 2,2,6,6-tetramethyl-heptane-2,4-dionate ligand: Syntheses, structures and calculations
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117317
Guan Peng , Wei Xu , Fangfang Chen
{"title":"Identification of Yb and Ce complexes containing 2,2,6,6-tetramethyl-heptane-2,4-dionate ligand: Syntheses, structures and calculations","authors":"Guan Peng ,&nbsp;Wei Xu ,&nbsp;Fangfang Chen","doi":"10.1016/j.poly.2024.117317","DOIUrl":"10.1016/j.poly.2024.117317","url":null,"abstract":"<div><div>In this work, in order to identify the structures of Yb-TMHD (TMHD = 2,2,6,6-tetramethyl-heptane-2,4-dionate) and Ce-TMHD in commercialized products which are usually used as the precursors of Yb/Ce-codoped silica fiber preforms, Yb(TMHD)<sub>3</sub> (<strong>Ⅰ</strong>), Yb(TMHD)<sub>3</sub>(H<sub>2</sub>O) (<strong>Ⅱ</strong>), and Ce(TMHD)<sub>4</sub> (<strong>Ⅲ</strong>) were synthesized. And their structures were systematically characterized by elemental analysis, nuclear magnetic resonance (NMR), Infrared spectrometry (IR), X-ray single crystal diffraction and thermogravimetric analysis (TGA). The crystal structure of a new complex Yb(TMHD)<sub>3</sub>(H<sub>2</sub>O) (<strong>Ⅱ</strong>) was confirmed: triclinic and space group <em>P</em>-1, a = 12.5017(5) Å, b = 13.9289(6) Å, c = 14.5519(6) Å, V = 1890.48(15) Å<sup>3</sup>. It is verified that Ce(TMHD)<sub>4</sub> is the structure of Ce-doped organic source rather than Ce(TMHD)<sub>3</sub> from different synthesis methods, while Yb(TMHD)<sub>3</sub> can be the stable structure as Yb organic source. The quantum chemical calculation also confirmed the better thermodynamic stability of Yb(TMHD)<sub>3</sub> than that of Yb(TMHD)<sub>3</sub>(H<sub>2</sub>O). The IRI calculation results verify the coordination mode and indicate that the formation of crystals is related to the interaction between ligand molecules.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117317"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098901","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
Enhanced light and electronic properties of a dihydrate iron(II) sulfate complex with 2,6-diaminopyridinium
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117335
Oumaima Mastouri , Emna Bouaziz , Sergiu Shova , Mohamed Boujelbene
{"title":"Enhanced light and electronic properties of a dihydrate iron(II) sulfate complex with 2,6-diaminopyridinium","authors":"Oumaima Mastouri ,&nbsp;Emna Bouaziz ,&nbsp;Sergiu Shova ,&nbsp;Mohamed Boujelbene","doi":"10.1016/j.poly.2024.117335","DOIUrl":"10.1016/j.poly.2024.117335","url":null,"abstract":"<div><div>A new hybrid complex, (C<sub>5</sub>H<sub>8</sub>N<sub>3</sub>)<sub>2</sub>[Fe (H<sub>2</sub>O)<sub>6</sub>](SO<sub>4</sub>)<sub>2</sub>·2H<sub>2</sub>O, dihydrate of bis (2,6-diaminopyridine) iron (II) sulfate, abbreviated <strong>DAPFe</strong>, was grown by slow evaporation at room temperature. It crystallizes in the orthorhombic system. The structure consists of [Fe<sup>II</sup> (H<sub>2</sub>O)<sub>6</sub>]<sup>2+</sup>, 2,6-diaminopyridinium cation (C<sub>5</sub>H<sub>8</sub>N<sub>3</sub>)<sup>2+</sup>, two (SO<sub>4</sub>)<sup>2−</sup> anions, and water molecules interconnected through an extensive two-dimensional hydrogen-bond network. The stability of the supramolecular structure was maintained through hydrogen bonding interactions N<img>H…O, O<img>H…O and π…π interactions between the aromatic rings of the 2,6-diaminopyridine units. Hirshfeld surface analysis indicates that, among all possible molecular interactions, the O…H and H…H contacts are predominant, constituting 46.1 and 39.6 % of the total interactions in the crystal lattice, respectively. Thermal analysis (TG-DTA) confirmed the thermal stability of the crystal up to 290 °C. Infrared spectrum was recorded, validating the presence of vibrational modes corresponding to both organic and inorganic groups. Finally, the optical properties were investigated using UV–Vis absorption and photoluminescence spectroscopy, supported TDDFT theoretical calculations.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117335"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098907","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, characterization and computational studies of the triangle shape complex of silver nitrate with 2-amino-1,3,4-thiadiazole
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117259
Kakhramon Sh. Husenov , Bako B. Umarov , Kambarali K. Turgunov , Sanat Sh. Sharipov , Bakhtiyor Sh. Ganiev , Dilshod T. Akhtamov , Damir A. Safin
{"title":"Synthesis, characterization and computational studies of the triangle shape complex of silver nitrate with 2-amino-1,3,4-thiadiazole","authors":"Kakhramon Sh. Husenov ,&nbsp;Bako B. Umarov ,&nbsp;Kambarali K. Turgunov ,&nbsp;Sanat Sh. Sharipov ,&nbsp;Bakhtiyor Sh. Ganiev ,&nbsp;Dilshod T. Akhtamov ,&nbsp;Damir A. Safin","doi":"10.1016/j.poly.2024.117259","DOIUrl":"10.1016/j.poly.2024.117259","url":null,"abstract":"<div><div>A new mononuclear salt-like silver(I) complex [AgL<sub>3</sub>]NO<sub>3</sub> (Complex <strong>1</strong>), which was readily fabricated from 2-amino-1,3,4-thiadiazole (<strong>L</strong>), is reported. Complex <strong>1</strong> was analyzed by elemental analysis, FT-IR and UV–vis spectroscopy, and single crystal X-ray diffraction. Intermolecular contacts for the cation [AgL<sub>3</sub>]<sup>+</sup> in the crystal structure of Complex <strong>1</strong> were examined using the Hirshfeld surface analysis. The DFT-based calculations were additionally applied to reveal electronic features of Complex <strong>1</strong>. The molecular structure of Complex <strong>1</strong> exhibits a mononuclear planar cation [AgL<sub>3</sub>]<sup>+</sup> of the triangle shape with three ligands <strong>L</strong> being monocoordinated through the thiadiazole nitrogen atom, located at the third position. Two cations [AgL<sub>3</sub>]<sup>+</sup>, which, in turn, are stabilized by three N–H⋯N hydrogen bonds, are stacked through a rich variety of noncovalent interactions formed by the thiadiazole π-system, yielding a supramolecular dimer {[AgL<sub>3</sub>]<sub>2</sub>}<sup>2+</sup>. These dimers are linked through Ag⋯Ag interactions with the formation of a 1D supramolecular cationic pillar {[AgL<sub>3</sub>]<em><sub>n</sub></em>}<em><sup>n</sup></em><sup>+</sup>. A solution of Complex <strong>1</strong> in EtOH absorbs in the UV region due to intraligand transitions within <strong>L</strong>. Theoretical calculations revealed a strong electrophilic nature of the optimized structure of Complex <strong>1</strong>.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117259"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098908","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
Modular Assembly, fluorescent and magnetic properties of a series of non-symmetric binuclear lanthanide complexes
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117368
Quan-Bo Wang , Jia-Feng Gao , Fan-Ye Kong, Guo-Xu Li, Shu-Ying Luo, Kai Wang
{"title":"Modular Assembly, fluorescent and magnetic properties of a series of non-symmetric binuclear lanthanide complexes","authors":"Quan-Bo Wang ,&nbsp;Jia-Feng Gao ,&nbsp;Fan-Ye Kong,&nbsp;Guo-Xu Li,&nbsp;Shu-Ying Luo,&nbsp;Kai Wang","doi":"10.1016/j.poly.2024.117368","DOIUrl":"10.1016/j.poly.2024.117368","url":null,"abstract":"<div><div>As a kind of lanthanide complex with special molecular structures, non-symmetric binuclear lanthanide complexes ({Ln<sub>2</sub>}) feature two Ln centers with distinct coordination geometries, and have showed some unique properties that common symmetric {Ln<sub>2</sub>} could not achieved. Yet, there is still great difficult in their direct synthesis, and most of them were obtained through a serendipitous way. In this work, a series of non-symmetric {Ln<sub>2</sub>}, namely, [Ln<sub>2</sub>(bbpen)(hfac)<sub>4</sub>] [Ln = Eu (<strong>1</strong>), Tb (<strong>2</strong>) and Dy (<strong>3</strong>); H<sub>2</sub>bbpen = <em>N</em>, <em>N</em>′-bis(2-hydroxybenzyl)-<em>N</em>, <em>N</em>′-bis(2-picolyl)ethylene diamine; hfac<sup>−</sup> = 1,1,1,5,5,5-hexafluoroacetylacetonate ion], have been synthesized by a modular assembly approach successfully. This is the first application of modular assembly approach in the synthesis of non-symmetric {Ln<sub>2</sub>}. A [Ln(hfac)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>] complex precursor and a mononuclear Ln module built by a bbpen<sup>2−</sup> ligand were assembled together by coordination substitution reaction between them, forming a kind of non-symmetric {Ln<sub>2</sub>} structure where two Ln ions featuring distinct coordination geometries are dual-bridged by two O<sub>phenolato</sub> atoms. The fluorescence spectra of <strong>1</strong> and <strong>2</strong> show characteristic emission peaks belonging to Eu- and Tb-based transitions, respectively. In particular, <strong>1</strong> presents a bright red emission. The static and dynamic magnetic properties of <strong>3</strong> were investigated. It is revealed that <strong>3</strong> possesses typical dual-relaxation behavior of non-symmetric {Ln<sub>2</sub>} single molecule magnets (SMMs).</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117368"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098523","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, characterization, DNA, BSA, antimicrobial, antioxidant and molecular docking studies of gadolinium(III) based complexes
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117338
Maliha Zahid , Rubina Bibi , Muhammad Tariq , Ajaz Hussain , Kausar Hussain Shah , Muhammad Sirajuddin , Muhammad Yar , Khurshid Ayub
{"title":"Synthesis, characterization, DNA, BSA, antimicrobial, antioxidant and molecular docking studies of gadolinium(III) based complexes","authors":"Maliha Zahid ,&nbsp;Rubina Bibi ,&nbsp;Muhammad Tariq ,&nbsp;Ajaz Hussain ,&nbsp;Kausar Hussain Shah ,&nbsp;Muhammad Sirajuddin ,&nbsp;Muhammad Yar ,&nbsp;Khurshid Ayub","doi":"10.1016/j.poly.2024.117338","DOIUrl":"10.1016/j.poly.2024.117338","url":null,"abstract":"<div><div>The present study reports the synthesis of two new gadolinium-metal-based complexes with mixed ligands, [Gd(L1)<sub>2</sub>(py)(H<sub>2</sub>O)<sub>3</sub>] (<strong>C1</strong>) and [Gd (L2)<sub>2</sub>(phen)(H<sub>2</sub>O)<sub>2</sub>] (<strong>C2</strong>), where L1 represents 3-(4 cyanophenyl) acrylate and L2 as 3-(4 fluorophenyl) acrylate. The complexes were characterized by various analytical techniques including FT-IR, PXRD, TGA, DSC, SEM and EDX to determine structural elucidation, binding mode, crystallinity, thermal stability, morphology and elemental composition, respectively. The synthesized complexes were tested for DNA (salmon sperm) and BSA interaction studies to infer their antitumor potential. The binding constants obtained for C1 and C2 with SS DNA were 3.03 × 10<sup>4</sup> and 3.2 × 10<sup>4</sup> while with BSA observed as 1.59 × 10<sup>5</sup> and 1.22 × 10<sup>5</sup>, respectively. <em>In vitro</em> antimicrobial potential of both complexes was determined against various bacterial and fungal strains. Experimental results showed complex C2 is more active than C1 against all selected bacterial strains and showed higher antibacterial potential against <em>E. coli</em> with a zone of inhibition (ZOI) of 35 mm. The antibacterial potential of C2 was further investigated by calculating the MIC (IC50) value. MIC of complex C2 was assessed using visual inspection (turbidity) and spectrophotometric assay at 600 nm. The findings of the spectrophotometric approach have greater sensitivity than the standard disc diffusion assays. The molecular docking studies were conducted to validate further and compare the findings of experimental results which exhibited that complex C2 has an excellent binding capacity with the target protein (5CDQ) with free binding energy −12.23 kcal/mol. Antioxidant potentials of the complexes were assessed using phosphomolybdenum assay, which demonstrated that complex C2 exhibits higher antioxidant activity than complex C1.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117338"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098902","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
The role of Li⋯F interactions in lithium and heterobimetallic lithium–magnesium complexes of the hexafluoroisopropoxide anion
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117322
Alexandros Terzopoulos , Rafaela Marinho Fonseca , Andrew D. Bond , Clare P. Grey , Dominic S. Wright
{"title":"The role of Li⋯F interactions in lithium and heterobimetallic lithium–magnesium complexes of the hexafluoroisopropoxide anion","authors":"Alexandros Terzopoulos ,&nbsp;Rafaela Marinho Fonseca ,&nbsp;Andrew D. Bond ,&nbsp;Clare P. Grey ,&nbsp;Dominic S. Wright","doi":"10.1016/j.poly.2024.117322","DOIUrl":"10.1016/j.poly.2024.117322","url":null,"abstract":"<div><div>As part of ongoing investigations of battery electrolytes and additives based on derivatives of 1,1,1,3,3,3-hexafluoroisopropanol, the solvent-free hexameric precursor [Li(μ<sub>3</sub>-OCH(CF<sub>3</sub>)<sub>2</sub>)]<sub>6</sub> (<strong>1</strong>) was isolated and characterised by single-crystal X-ray diffraction and found to possess a ring-stacked hexagonal prismatic Li<sub>6</sub> arrangement supported by Li⋯F interactions. To explore the behaviour of this fluoroalkoxide ligand further, the lithium magnesiate complexes [Li<sub>2</sub>(thf)<sub>4</sub>Mg(μ<sub>2</sub>-OCH(CF<sub>3</sub>)<sub>2</sub>)<sub>4</sub>] (<strong>2</strong>) and [Li<sub>3</sub>(thf)<sub>2</sub>(<em><sup>n</sup></em>BuMg)(μ<sub>3</sub>-OCH(CF<sub>3</sub>)<sub>2</sub>)<sub>4</sub>] (<strong>3</strong>) were also obtained; <strong>2</strong> from the reaction of the fluorinated alcohol with a 2:1 mixture of <em><sup>n</sup></em>BuLi:<em><sup>n</sup></em>Bu<sub>2</sub>Mg, and <strong>3</strong> from the reaction of the alcohol with a 1:1 mixture of <em><sup>n</sup></em>BuLi:<em><sup>n</sup></em>Bu<sub>2</sub>Mg. The structure of <strong>3</strong> is of particular interest, being based on a Li<sub>3</sub>MgO<sub>4</sub> heterocubane arrangement which possesses a highly unusual 3:1 Li:Mg stoichiometry. The solid-state structures of <strong>1</strong>–<strong>3</strong> illustrate some of the range of vastly different geometries possible for <em>s</em>-block metal alkoxides and highlight the potential importance of Li⋯F interactions in molecular stabilisation.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117322"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A new route to air-stable Cu(0) nanoparticles
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117319
Kellie J. Jenkinson , Fang Chai , Nicholas Sammy , Christina Boukouvala , Emilie Ringe , Andrew E.H. Wheatley
{"title":"A new route to air-stable Cu(0) nanoparticles","authors":"Kellie J. Jenkinson ,&nbsp;Fang Chai ,&nbsp;Nicholas Sammy ,&nbsp;Christina Boukouvala ,&nbsp;Emilie Ringe ,&nbsp;Andrew E.H. Wheatley","doi":"10.1016/j.poly.2024.117319","DOIUrl":"10.1016/j.poly.2024.117319","url":null,"abstract":"<div><div>Cu nanoparticles (NPs) can offer plasmonic properties in the near infrared region of the electromagnetic spectrum while boasting substantially greater abundance than group 11 counterparts Au or Ag and reduced cytotoxicity compared to the latter. To maintain plasmonic responsiveness, the NPs metallic character must be conserved, meaning resistance to environmental oxidation is required. Core@shell Cu@Fe<sub>3</sub>O<sub>4</sub> NPs are synthesized here by decomposing Fe(CO)<sub>5</sub> onto preformed Cu seeds made in the presence of oleic acid (OA) and oleylamine (OAm). Variation of the OA:OAm ratio induces seeds to transition from pseudospheres to cubes and then rods. Facile coating succeeds irrespective of seed morphology and is proved for non-magnetic seeds for, as far as we know, the first time. Imaging reveals a continuous, ∼2.5 nm wide Fe<sub>3</sub>O<sub>4</sub> shell encapsulating Cu in each morphology. Samples can be redispersed in undried organic media or stored under air as solids for many months without core oxidation, and this is attributed to the coating of the Cu core with an uninterrupted magnetite shell. Treatment with <em>meso</em>-2,3-dimercaptosuccinic acid results in surface ligand exchange without morphological changes. The resulting Cu@Fe<sub>3</sub>O<sub>4</sub> NPs can then be dispersed in polar organic solvents or water.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117319"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143099306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Surface modifications of cobalt ferrites nanoparticles with chitosan, polyethylene glycol, polyvinyl alcohol, and polyvinylpyrrolidone as antibacterial agents against Staphylococcus aureus, Pseudomonas aeruginosa, and Salmonella enterica
IF 2.4 3区 化学
Polyhedron Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117354
Linh Doan , An H. Huynh , Khoa Tran , Quynh N. Le , Khanh G. Huynh
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