Polyhedron最新文献

{"title":"Synthesis, structural and photocatalytic properties of ZnO-CuO, ZnO-Graphene and ZnO-CuO-Graphene nanocomposites","authors":"Haroon Rashid ,&nbsp;Ejaz Muhammad ,&nbsp;Mehdi Hassan ,&nbsp;Abdul Rauf ,&nbsp;Arslan Bashir ,&nbsp;Wajahat Ali ,&nbsp;Tariq Jan ,&nbsp;Ali Bahadur ,&nbsp;Shahid Iqbal ,&nbsp;Sajid Mahmood ,&nbsp;Khalid M. Alotaibi","doi":"10.1016/j.poly.2025.117471","DOIUrl":"10.1016/j.poly.2025.117471","url":null,"abstract":"<div><div>Industrial wastes particularly organic dyes has been a matter of great challenge in the rapid growing industrial technologies. To address this issue nanocomposites of ZnO-Graphene, ZnO-CuO and ZnO-CuO-graphene were efficiently developed via chemical co-precipitation method and inestigated its photocatalytic properties for efficient waste water treatment in the degradation of methylene blue (MB) as an indicator. These nanocomposites were fully characterized by numerous advanced characterization techniques i.e. X-ray Diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR), UV–visible spectroscopy, Scanning Electron Microscopy (SEM), Energy Dispersive X-ray (EDX) Spectroscopy, and Photoluminescence (PL). The SEM image of ZnO-CuO-Graphene nanocomposite revealed flower-like morphology while the presence of Zn, Cu, O, and C were confirmed by EDX spectroscopy. Low PL intensity of ZnO-CuO-Graphene nanocomposite indicates low electron-hole recombination indicating it is a potential photocatalyst for photocatalysis application. Among all nanocomposites, ZnO-CuO-Graphene nanocomposite possesses greater photocatalytic activity after 180 min while exposed to solar light i.e. 81 % degradation of MB dye copared to 74 % and 77 % degradation by ZnO-G and ZnO-CuO nancomposites respectively. The incremental photocatalytic efficiency of the ZnO-CuO-Graphene nanocomposite is predominantly due to the larger active surface area resulting from the incorporation of Graphene.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"273 ","pages":"Article 117471"},"PeriodicalIF":2.4,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529714","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}

{"title":"A new ligand based on the closo-dodecaborate anion (Bu4N)[B12H11NH(CH2COOH)2]: Synthesis, structure, and its Eu(III) coordination compounds","authors":"Margarita N. Ryabchikova ,&nbsp;Alexey V. Nelyubin ,&nbsp;Grigorii A. Buzanov ,&nbsp;Alexey S. Kubasov ,&nbsp;Ilya N. Klyukin ,&nbsp;Andrey P. Zhdanov ,&nbsp;Konstantin Yu. Zhizhin ,&nbsp;Yulia G. Gorbunova ,&nbsp;Nikolay T. Kuznetsov","doi":"10.1016/j.poly.2025.117462","DOIUrl":"10.1016/j.poly.2025.117462","url":null,"abstract":"<div><div>In this work, a method for the preparation of a new chelating ligand [B₁₂H₁₁NH(CH₂COOH)₂]– via the alkylation reaction of ammonio-<em>closo</em>-dodecaborate anion has been proposed. The product and its synthetic precursor were characterized by NMR and IR spectroscopy, ESI-mass spectrometry, and X-ray analysis of single crystals. Two heteroligand complexes of europium(III) [Eu(Phen)₂B₁₂H₁₁NH(CH₂COO)₂](H₂O)₄ and [(Eu(phen)(DMSO)₃)₂(µ-B₁₂H₁₁NH(CH₂COO)₂)₂] were prepared based on the boron-containing ligand. The analysis of crystal structures showed the presence of intra- and intermolecular dihydrogen bonds.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"272 ","pages":"Article 117462"},"PeriodicalIF":2.4,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520253","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}

{"title":"The application of chiral groups in circularly polarized luminescent lanthanide complexes","authors":"Yanxin Zha,&nbsp;Zuqiang Bian,&nbsp;Zhiwei Liu","doi":"10.1016/j.poly.2025.117452","DOIUrl":"10.1016/j.poly.2025.117452","url":null,"abstract":"<div><div>Luminescent lanthanide complexes provide a rich variety of radiative f–f and d–f transitions, covering a wide range of emission spectra from ultraviolet to near-infrared. One field where lanthanide complexes are particularly favorable is circularly polarized luminescence (CPL), due to the electric-dipole forbidden nature of f–f transition endowing them with theoretically high dissymmetry factor (<em>g</em>_lum). Circularly polarized luminescent lanthanide complexes can be designed by incorporating chiral ligands to induce molecular chirality. This review summarizes the ligand design in small-molecule circularly polarized luminescent lanthanide complexes classified by different chiral groups, aiming to shed light on how the structure of chiral ligand influences the photophysical and chiroptical properties of a lanthanide complex, and provide insight into further development of chiral ligands for high-performance CPL emitters.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"272 ","pages":"Article 117452"},"PeriodicalIF":2.4,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143511817","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}

{"title":"Coordination chemistry of alkali metals in a modified β-diketiminate ligand scaffold","authors":"Stuart Burnett,&nbsp;Alan R. Kennedy,&nbsp;Catherine E. Weetman","doi":"10.1016/j.poly.2025.117461","DOIUrl":"10.1016/j.poly.2025.117461","url":null,"abstract":"<div><div>β-diketiminate (or NacNac) ligands are a widely used ligand class in the stabilisation of metal complexes across the periodic table, in part due to the ease of variability of the ligand steric and electronic effects either at the β-carbon atom or the <em>N</em>-Ar group. Functionalisation of the γ-carbon position is not typically observed however and examples of such complexes are scarce in the literature. Herein, we report on the synthesis and characterisation of alkali metal NacNac complexes which contain such γ-carbon functionalisation in the form of a methyl group. Deprotonation of the β-diketimine proligand ^Me3DipNacNacH <strong>1</strong> (^Me3DipNacNacH = (CH₃)C(C(CH₃)NDip)₂H, Dip = 2,6-<em>i</em>Pr₂-C₆H₃) by various alkali metal bases yielded the corresponding alkali metal complexes ^Me3DipNacNacAM (where AM = Li <strong>2</strong>, Na <strong>3</strong>, K <strong>4</strong>, Rb <strong>5</strong>, Cs <strong>6</strong>) which have been fully characterised by ¹H and ¹³C{¹H} NMR spectroscopy, while <strong>3</strong> and <strong>4</strong> have been structurally characterised by single-crystal X-ray diffraction. The solid-state structures obtained illustrate the varied range of coordination modes accessible to such group 1 metal complexes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"273 ","pages":"Article 117461"},"PeriodicalIF":2.4,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548607","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}

{"title":"Synthesis and structural studies of 1-naphthyl and mesityl ligand bearing organotellurium(II and IV) derivatives","authors":"Amit K. Tripathi ,&nbsp;Puspendra Singh ,&nbsp;Anamika ,&nbsp;Jitendra K. Bera ,&nbsp;Andrew Duthie ,&nbsp;Ray J. Butcher","doi":"10.1016/j.poly.2025.117463","DOIUrl":"10.1016/j.poly.2025.117463","url":null,"abstract":"<div><div>We report the synthesis and single crystal X-ray studies of air- and moisture-stable unsymmetrical organotellurium(II) and organotellurium(IV) derivatives bearing mesityl and 1-naphthyl ligands. The organotellurium(IV) derivatives, RR’TeCl₂ (<strong>1</strong>) and RR“TeCl₂ (<strong>2</strong>), [R = 2-(4,4′-NO₂C₆H₄CH = NC₆H₃-Me), R′ = 1-naphthyl, R″ = mesityl], were prepared by the treatment of RHgCl with R’TeCl₃ and R”TeCl₃ respectively in chloroform solvent at room temperature. The organotellurium(II) derivatives, RR’Te (<strong>3</strong>) and RR“Te (<strong>4</strong>) were prepared by reducing compounds <strong>1</strong> and <strong>2</strong> in dichloromethane:water solvent. Along with these we also developed compound R’(CH₃COCH₂)TeCl₂ (<strong>5</strong>) through the treatment of R’TeCl₃ with acetone at room temperature. All five compounds were characterized using ¹H NMR, ¹³C{¹H}-NMR, ¹²⁵Te{¹H}-NMR, IR, ES-MS and UV spectroscopic techniques and elemental analysis. Additionally, compounds <strong>3</strong>, <strong>4</strong> and <strong>5</strong> were confirmed by single-crystal X-ray studies. The crystal packing diagram of <strong>3</strong> shows intermolecular C<img>H∙∙∙O and C<img>H∙∙∙Te interactions that are within the Σ <em>rvdw</em> (H,O) of 2.72 Å and (H,Te) of 3.28 Å for the two atoms, giving rise to 1D supramolecular motifs via self-assembly. The crystal packing of <strong>3</strong> also displays an interesting centrosymmetric dimeric unit via C<img>H∙∙∙O interactions. This synthon is based on reciprocal C<img>H···O H-bonding interactions of the nitro ligand bearing phenyl fragment. Based on Bent’s rule, we also conclude that the sharing of s-character in these molecules is greater through the mesityl ligand than the tolyl, 1-naphthyl and 4-anisyl organic fragments. The order of electronegativity of these organic fragments in these telluroethers will be mesityl &lt; 4-tolyl &lt; 1-naphthyl &lt; 4-anisyl.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"272 ","pages":"Article 117463"},"PeriodicalIF":2.4,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143511818","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}

{"title":"Sodium salt of boron-substituted first keggin-type polyoxometalate; synthesis, crystal structure and investigation of antimicrobial activities","authors":"Erdem Beşli ,&nbsp;Ferdağ Çolak ,&nbsp;Onur Şahin ,&nbsp;Selinsu Dikim ,&nbsp;Alper Tolga Çolak","doi":"10.1016/j.poly.2025.117453","DOIUrl":"10.1016/j.poly.2025.117453","url":null,"abstract":"<div><div>This study aims to investigate the antimicrobial activity of the boron-containing polyoxometalate (BPOM) <strong>Na₇[H_1.5BW₁₂O₄₀]∙6en</strong> (<strong>1</strong>)<strong>,</strong> synthesized as a single crystal. The structural and thermal properties of this novel BPOM were thoroughly analyzed using FT-IR, TGA, and X-ray diffraction (XRD) techniques. The incorporation of boron into these structures is believed to enhance their antimicrobial properties. The antimicrobial activity of the compound was evaluated against two Gram-positive bacteria (<em>Staphylococcus aureus, Bacillus cereus</em>)<em>,</em> three Gram-negative bacteria (<em>Escherichia coli, Legionella</em> spp.<em>, Legionella pneumophila sg 2</em>–<em>15</em>)<em>,</em> and a yeast (<em>Candida albicans</em>) using disc diffusion and tube dilution (Minimal Inhibition Concentration) methods. The results demonstrated that the synthesized compound exhibited significant antimicrobial activity, particularly against <em>Bacillus cereus</em> (Gram-positive) and <em>Legionella</em> spp. and <em>Legionella pneumophila sg 2</em>–<em>15</em> (Gram-negative).</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"272 ","pages":"Article 117453"},"PeriodicalIF":2.4,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143526643","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}

{"title":"Structural characterization and comparative analysis of two crystalline forms of drug cocrystal (S086) by MicroED, XPS, and XAFS","authors":"Wen-Jie Xu ,&nbsp;Jie Yan ,&nbsp;Song Li ,&nbsp;Duan-Ming Tan ,&nbsp;Sheng Hu","doi":"10.1016/j.poly.2025.117451","DOIUrl":"10.1016/j.poly.2025.117451","url":null,"abstract":"<div><div>Similar to the world’s first marketed ARNI drug sacubitril/valsartan (LCZ696), S086 is also a drug-drug cocrystal formed by neprilysin inhibitor (NEP) and angiotensin receptor blocker (ARB). ARNI drugs have played an important role in treating hypertension as a new class of antihypertensive drugs. Therefore, understanding the solid-state structure of S086 has become very meaningful. Employing advanced analytical techniques such as MicroED, XPS and XAFS, our comprehensive analysis has elucidated that the two crystalline forms, α and ξ of S086, are cocrystals derived from the synergistic combination of EXP3174, sacubitril, and calcium atoms, mediated by strong interactions. Due to the difficulty in obtaining X-ray single crystal structures, XPS and XAFS analyses, which offer unique insights into material structure, reasonably suggest that the two crystal forms of S086 possess highly similar coordination structures centered around calcium atoms with mixed ligands, but there are still subtle differences. The subtle differences in carboxylate coordination modes between α and ξ are reflected in the recently published linear and nonlinear IR spectroscopic studies of S086.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"271 ","pages":"Article 117451"},"PeriodicalIF":2.4,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143453876","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}

{"title":"Improving the onset of oxygen redox reactions by activating surface defects with visible light on a ZnO-based electrode","authors":"C.K. Zagal Padilla ,&nbsp;Sergio A. Gamboa ,&nbsp;B. Campillo ,&nbsp;Virginia Gomez-Vidales ,&nbsp;A. Álvarez Gallegos","doi":"10.1016/j.poly.2025.117450","DOIUrl":"10.1016/j.poly.2025.117450","url":null,"abstract":"<div><div>This study investigates the influence of photoactivated oxygen vacancies (VO) on the activation of oxygen redox reactions, such as evolution (OER) and reduction (ORR) reactions. The reactions were carried out on the surface of an electrode prepared with ZnO prepared by green synthesis and supported on sterling silver. Structural and surface analyses using X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and electron paramagnetic resonance (EPR) confirmed the presence of oxygen vacancies. Electrochemical analysis performed in an alkaline medium showed that Vo exhibited photoactivation under visible light illumination. This photoactivation process facilitated electron transfer, resulting in the formation of superoxide intermediates <span><math><mrow><msubsup><mrow><mo>(</mo><mi>O</mi></mrow><mrow><mn>2</mn></mrow><mo>-</mo></msubsup><mrow><mo>)</mo></mrow></mrow></math></span>. These intermediates contribute to the generation of singlet oxygen (¹O₂), which enhances OER activity and enables the photoexcitation of adsorbed peroxides and singlet oxygen. This process promotes the formation of triplet oxygen (³O₂), which improves the ORR kinetics. The incorporation of Mg into the Zn-O matrix may play an essential role in these processes. These results provide new insights into the design of electrocatalysts using visible-light-activated redox processes for rechargeable batteries and fuel cell applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"271 ","pages":"Article 117450"},"PeriodicalIF":2.4,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444673","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}

{"title":"Synthesis, crystal structure reinvestigation and chemical formula redefinition of cesium hydrogen oxalate by single crystal X-ray diffraction, IR spectroscopy, thermal and Hirshfeld surface analysis","authors":"Hamza Kherfi ,&nbsp;Malika Hamadène","doi":"10.1016/j.poly.2025.117449","DOIUrl":"10.1016/j.poly.2025.117449","url":null,"abstract":"<div><div>In attempt to prepare a bimetallic polymer oxalate with Cr and Cs atoms, colorless single crystals have been isolated and identified as CsHC₂O_4, from X-ray powder diffraction which shown the compound to be isotypic with that reported previously by Kholodkovskaya (Space Group <em>P</em>2₁/<em>c</em>). On the lack of some structural data, its structure has been reinvestigated using new and more crystallographic data. Two independent C atoms and only one H atom are present in the asymmetric unit, with one Cs atom and moreover, the symmetry center is located on the center of the two kinds of C<img>C bonds, allowing to propose the chemical formula Cs₂(C₂O₄)(H₂C₂O₄) (<strong>I</strong>).The structure consists of zigzag files of CsO₁₁ polyhedra sharing opposite faces via the C₂O₄²⁻ ions and form double layers separated by H₂C₂O₄ ligand layers, along [0<!--> <!-->0<!--> <!-->1] direction. The IR spectroscopy study, carried out by comparison with homologous compounds, is in agreement with XRD data. The thermal analysis ATG and DTA performed under different atmospheric conditions, showed different thermal decomposition process for this bidimensional (2D) compound. The Hirshfeld surface analysis and its corresponding 2D fingerprint plots revealed that the major contributors to the crystal packing are Cs⋯O contacts followed by O⋯C, O⋯O, and O⋯H contacts.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"271 ","pages":"Article 117449"},"PeriodicalIF":2.4,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444672","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}

{"title":"Novel µ-nitrido homo-/heteroleptic iron–manganese complexes as promising oxidants","authors":"Sergey A. Zdanovich ,&nbsp;Elena Yu. Tyulyaeva ,&nbsp;Vitaliy S. Sukharev ,&nbsp;Mark V. Zaitsev ,&nbsp;Svetlana V. Zaitseva","doi":"10.1016/j.poly.2025.117448","DOIUrl":"10.1016/j.poly.2025.117448","url":null,"abstract":"<div><div>Binuclear μ-bridged macrocycle dimers have been attracting considerable attention because of their catalytic ability in organic substrates oxidation. This work focuses on the preparation and properties of novel µ-nitrido iron–manganese homo-/heteroleptic complexes bearing porphyrin and phthalocyanine ligands. The compounds are identified and studied using UV, IR, EPR spectroscopy, mass spectrometry, and electrochemistry techniques. Subjecting the complexes to <em>^t</em>BuOOH in CH₂Cl₂ resulted in chemical generation of different high-valence species capable of decomposing β-carotene and peroxide at room temperature. The active reaction intermediates are rather stable to be identified using spectroscopic methods aiming at further establishing the reaction mechanism. The complexes composition is found to affect their redox properties and path of the studied substrate oxidation. The findings contribute to expanding the range of compounds with the controlled oxidizing capability to create active and durable catalysts.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"270 ","pages":"Article 117448"},"PeriodicalIF":2.4,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418947","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}