Polyhedron最新文献

{"title":"Influence of copper valence states on antiferromagnetic Behavior: A Comparative study of three Copper-based polyoxomolybdate hybrid compounds","authors":"Jia-Peng Cao ,&nbsp;Qianxiang Xu ,&nbsp;Yuanhang Ren,&nbsp;Hehua Hui,&nbsp;Jining Shang,&nbsp;Bin Yue,&nbsp;Heyong He","doi":"10.1016/j.poly.2025.117604","DOIUrl":"10.1016/j.poly.2025.117604","url":null,"abstract":"<div><div>Three Cu-based polyoxomolybdate coordination polymers, [Cu^I_xCu^II_1-x(mbpy)(H₂O)][Cu^II(mbpy)(H₂O)₂][Na(HPO₄)(H<em>_x</em>PO₄)-Mo₅O₁₅]·5·.5H₂O (<strong>1</strong>), Cu(mbpy)Mo₂O₇ (<strong>2</strong>) and [(Cu^II(mbpy))(Cu^I_yCu^II_1-y(mbpy))(H₂O)(H_yPO₄)]₂[H₃PMo^VI₁₀Mo^V₂O₄₀]·H₂O (<strong>3</strong>) (mbpy = 4,4′-dimethyl-2,2′-dipyridyl, 0 &lt; <em>x</em> &lt; 1, 0 &lt; <em>y</em> &lt; 1), have been hydrothermally synthesized. Single crystal X-ray diffraction analysis of compounds <strong>1</strong>–<strong>3</strong> indicates that three different types of polyoxomolybdate unit, namely Strandberg-type {P₂Mo₅}, dimeric {Mo₂} and Keggin-type {PMo₁₂}, are included, respectively. Compound <strong>1</strong> is constructed by Strandberg-type {P₂Mo₅} and Cu(mbpy) to form a dimeric unit. Compound <strong>2</strong> has a 1D nanorod-like structure connected by the simplest {Mo₂} unit. Compound <strong>3</strong> is an isolated structure consisting of a Keggin-type {PMo₁₂} and a {Cu₄} unit. BVS and XPS studies demonstrate that both Cu⁺ and Cu²⁺ coexist in compounds <strong>1</strong> and <strong>3</strong>, and magnetic measurement indicates the existence of anti-ferromagnetic interactions in compounds <strong>1</strong>–<strong>3</strong>. We proposed three possible magnetic modes, namely {Cu₄}, linear {Cu₂} and {Cu₄-Mo₂}, to explain the complex magnetic behavior and try to use both magnetic study and the structure analysis to probe the Cu(I) centers in the compounds.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117604"},"PeriodicalIF":2.4,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105741","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":"Noncovalent intermolecular interactions between pyrazine and thiophene: Harnessing a luminescent ‘binuclear cadmium (II)’ coordination complex for the trace quantity detection of Fe3+ ion and modelling a smart device","authors":"Arka Patra ,&nbsp;Pubali Das ,&nbsp;Gurupada Bairy ,&nbsp;Nayim Sepay ,&nbsp;Suvendu Maity ,&nbsp;Suprava Bhunia ,&nbsp;Partha Pratim Ray ,&nbsp;Chittaranjan Sinha","doi":"10.1016/j.poly.2025.117602","DOIUrl":"10.1016/j.poly.2025.117602","url":null,"abstract":"<div><div>Detection of trace amount of analyte through a dual mode sensing method has an edge over solitary signalling method because of its precision and efficacy. On the other hand, in the modern era of energy crisis, alternate sustainable storage device manufacturing has become a regularity to provide a green platform and to diminish carbon footprints from earth. To learn these model, we have designed a soberly emissive binuclear cadmium (II) complex, <strong>{[Cd₂(tppz)(2,5-TDA)₂(H₂O)₄]₂.(2H₂O)}</strong> (<strong>C1</strong>) (tppz = tetra-2-pyridinylpyrazine; 2,5-TDA²⁻ = 2,5-thiophenedicarboxylate). The Single Crystal X-ray diffraction analysis of <strong>C1</strong> has validated its structural integrity and revealed notable noncovalent intermolecular interactions between the electron-accepting pyridinyl and the electron-donating thiophenyl rings, with a distance of 3.770 Å between two adjacent molecules. Consistent with the experimental data, the fluorogenic technique shows superior sensitivity for Fe³⁺ detection, with a Limit of Detection (LOD) of 84.6 nM, compared to the colorimetric method, which has a LOD of 3.57 µM. The optical band gap (3.57 eV) of the complex predominantly falls within the semiconducting range, making it particularly suitable for the development of a Schottky diode, which can serve as a viable approach to mitigate the energy crisis in the realm of contemporary sustainable research. An electrical conductivity of 2.60 × 10⁻⁴ Sm⁻¹, coupled with the visible remediation of iron (III) ions, underscores the potential application of the complex in the realm of materials.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117602"},"PeriodicalIF":2.4,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138445","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":"NMR study of paramagnetic chemical shifts of [Dy(DTPA)]2− at various concentrations in solution","authors":"E.N. Zapolotsky ,&nbsp;I.P. Chuikov ,&nbsp;Jinsheng Zhang ,&nbsp;S.P. Babailov","doi":"10.1016/j.poly.2025.117603","DOIUrl":"10.1016/j.poly.2025.117603","url":null,"abstract":"<div><div>The [Dy(H₂O)_n(DTPA)]²⁻ complex was studied in aqueous solution by ¹H NMR at different temperatures and concentrations. It was experimentally found that the longitudinal relaxation rates of signals in the NMR spectra of the [Dy(H₂O)_n(DTPA)]²⁻ complex are sensitive to concentration changes. It was found that the Curie-spin contribution to the lanthanide-induced enhancement in the spin–spin relaxation rate is dominant in the region of high concentrations and low temperatures. The complex can be considered as a promising NMR/MRI probe and reagent for <em>in vitro</em> and in vivo determination of temperature in aqueous media, as well as for temperature control during in situ studies of exothermic or endothermic processes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117603"},"PeriodicalIF":2.4,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105742","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":"Luminescent [(2-PBO)CuILP] complexes: Synthesis, crystal structures, properties, and TD-DFT calculation","authors":"Xin-Yu Wei ,&nbsp;Li Song ,&nbsp;Yu Chen ,&nbsp;Ying-Ying Zhang ,&nbsp;Yu-Xin Zhang ,&nbsp;Hao-Nan Hu ,&nbsp;Yong Zhang ,&nbsp;Xia-Qun Zeng ,&nbsp;Zhou-Hang Jiang ,&nbsp;Wen-Xiang Chai","doi":"10.1016/j.poly.2025.117601","DOIUrl":"10.1016/j.poly.2025.117601","url":null,"abstract":"<div><div>We report herein a series of new [(2-PBO)CuIL_P] type luminescent complexes <strong>1</strong>–<strong>6</strong> and their application in fluorescent VOCs detection. These CuI complexes (except <strong>1</strong> as CuBr) are constructed by a diimine ligand 2-PBO (2-(2′-pyridyl)-benzoxazole) and five P-containing ligands (L_P) PPh₃ (<strong>1</strong>–<strong>2</strong>), PPh₂Cy (<strong>3</strong>), o-Tol₃P (<strong>4</strong>), TXP24 (<strong>5</strong>), and TXP25 (<strong>6</strong>), where PPh₃ = triphenylphosphine, PPh₂Cy = 4-cyclohexyldiphenylphosphine, o-Tol₃P = 4-tri(o-tolyl)-phosphine, TXP24 = tris(2,4-xylyl)phosphine, and TXP25 = tris(2,5-xylyl)phosphine. All complexes exhibit isolated structures with tetrahedral CuIN₂P coordination. TD-DFT calculations assign their low-energy UV absorption band to a mixed (XL + ML)CT¹ transition from Cu-I fragment to 2-PBO, the similarly assigned (XL + ML)CT excited state is proposed as the source of photoluminescence (PL). The modification of phosphine ligands is found to have minimal impact on the PL properties of these materials. A thin-film sensor based on complex<!--> <strong>2</strong> <!-->was fabricated, achieving VOCs detection through remarkable PL enhancement and vapochromism behavior.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117601"},"PeriodicalIF":2.4,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070190","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":"Palladium analogues as complementary of Cis-platin- a mini review","authors":"Arup Mandal","doi":"10.1016/j.poly.2025.117585","DOIUrl":"10.1016/j.poly.2025.117585","url":null,"abstract":"<div><div><em>Cis</em>-platin was the first discovered anticancer drug based on the transition metal complex. It showed its anticancer activities on various types of cancers such as head and neck, testicular, small-cell lung and non-small-cell lung, bladder, cervical and ovarian cancers. But due to some adverse effects, scientists developed some platinum analogues as second and third generation drugs for cancer treatment. Among them, some passed clinical trials and some failed. Then non platinum complexes were also introduced with effective anticancer properties. Lot of research has been done on Iron, Ruthenium, Rhodium analogues. In this review, immense bio-activity of Palladium Complexes has been discussed and tried to demonstrate that Palladium complexes and its derivatives may also function as alternatives of <em>Cis</em>-platin.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117585"},"PeriodicalIF":2.4,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144072383","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":"Corrigendum to “Exploring the chemistry of divalent P(I) compounds: an insight from theory” [Polyhedron 276 (2025) 117561]","authors":"Bijoy Ghosh ,&nbsp;Sanchaita Rajkhowa ,&nbsp;Bitupon Borthakur","doi":"10.1016/j.poly.2025.117586","DOIUrl":"10.1016/j.poly.2025.117586","url":null,"abstract":"","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117586"},"PeriodicalIF":2.4,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169461","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":"Synthesis and characterization of a heterobimetallic [FeIIMnII] cyanide-bridged coordination polymer and its in vitro antitumor activity","authors":"Fangliang Xu ,&nbsp;Hongju Zhan ,&nbsp;Liwei Li ,&nbsp;Hong Shi ,&nbsp;Yong Wang","doi":"10.1016/j.poly.2025.117592","DOIUrl":"10.1016/j.poly.2025.117592","url":null,"abstract":"<div><div>A novel Fe-Mn cyanide-bridged compound <strong>1</strong>, {[Fe^II₂(bpy)₄(<em>μ</em>-CN)₄Mn^II(DMF)₂](PF₆)₂·H₂O}<em>_n</em>, was achieved by reaction of <em>cis</em>-Fe^II(bpy)₂(CN)₂⋅3H₂O with Mn^II(OAc)⋅4H₂O in a DMF solution in the presence of ammonium hexafluorophosphate. Compound <strong>1</strong> was characterized by IR, electronic absorption spectra and elemental analysis, and X-ray Crystallography. Compound <strong>1</strong> crystallizes in the monoclinic system, space group C2/<em>c</em>. The crystal structure of compound <strong>1</strong> contains two mononuclear <em>cis</em>-Fe^II(bpy)₂(CN)₂ neutral molecule, one [Mn^II(DMF)₂]²⁺ cation, two uncoordinated PF₆⁻ anions and one uncoordinated water molecule. Each Fe^II(bpy)₂(CN)₂ unit is connected to two [Mn^II(DMF)₂]²⁺ cations via CN groups in <em>cis</em>-conformation, and each [Mn^II(DMF)₂]²⁺ cation is linked to four Fe^II(bpy)₂(CN)₂ unit via CN groups. Each two Fe^II(bpy)₂(CN)₂ units bridge two Mn²⁺ ions through cyanido bridges in the <em>cis-</em> positions linked alternately to form a 12-membered ring molecular square. The two <em>cis</em> positions remaining on each manganese continue to be alternately connected by two cyanide groups from another iron unit, and such alternation forms a 2-dimensional structure. The in vitro activity of compound <strong>1</strong> was evaluated in A549 and HeLa as well as MCF7 cell lines.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117592"},"PeriodicalIF":2.4,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070187","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":"Remarkably stable luminescence thermometric performance of upconverting LiYF4:Yb3+, Tm3+ nanoparticles obtained via an anhydrous precursor strategy","authors":"Bhagyesh Purohit ,&nbsp;Sameh Galal ,&nbsp;Erwann Jeanneau ,&nbsp;Yannick Guyot ,&nbsp;David Amans ,&nbsp;Benoit Mahler ,&nbsp;Christophe Dujardin ,&nbsp;Gilles Ledoux ,&nbsp;Shashank Mishra","doi":"10.1016/j.poly.2025.117599","DOIUrl":"10.1016/j.poly.2025.117599","url":null,"abstract":"<div><div>Given their excellent optical properties, the lanthanide-containing nanomaterials are fast emerging as promising candidates for highly sensitive thermometry. This work describes the thermometric performance of high quality tetragonal LiYF₄: Yb³⁺, Tm³⁺ NPs synthesized using home-made anhydrous precursors [Ln(TFA)₃(monoglyme)] and [Li(TFA)(monoglyme)] (Ln = Y, Tm, Yb; TFA = trifluoroacetate) in a hot-injection method. These NPs show excellent constant relative sensitivity (&gt;1%.K⁻¹) and stability over a wide range of temperature (300–500 K), indicating that they are good candidates for temperature-sensing applications requiring a wide range of temperature. In addition, reactions between Gd(TFA)₃(H₂O)₃ and Li(TFA)(H₂O) in the presence of <em>N</em>-methyl substituted amino alcohols were also investigated in relation with their use as precursors for LiGdF₄ matrix-based upconverting nanoparticles. One of these reactions resulted in the isolation of a homometallic cluster [Gd₄(OH)₄(TFA)₈(mdeaH₂)₃(THF)]. 2 THF (<strong>1</strong>, mdeaH₂ = <em>N</em>-methyl diethanolamine), which was structurally characterized. The difficulty in getting LiGdF₄ NPs from the thermal/microwave co-decomposition of lithium and gadolinium trifluoroacetates are discussed.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117599"},"PeriodicalIF":2.4,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070191","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 development of composites of cobalt phthalocyanine with graphene oxide nanomaterials as biosensors for the detection of prostate-specific antigen","authors":"Emihle Benise,&nbsp;Sixolile Centane,&nbsp;James Oyim,&nbsp;Philani Mashazi,&nbsp;Tebello Nyokong","doi":"10.1016/j.poly.2025.117591","DOIUrl":"10.1016/j.poly.2025.117591","url":null,"abstract":"<div><div>The work focuses on a development of the biosensor and its use for the detection of prostate specific antigen (PSA). Cobalt tris-(<em>tert</em>-butylphenoxy) mono carboxyphenoxy phthalocyanine (CoPc) was π-π stacked or sequentially added to graphene oxide (GO) and reduced graphene oxide (rGO) and used for the detection of PSA, in the presence of an aptamer and a complementary DNA on a glassy carbon electrode (GCE). Differential pulse voltammetry (DPV) was used for the detection of PSA. The electrode: GCE-GO-CoPc(π-π)-Aptamer performed the best and gave the lowest limit of detection of 0.35 × 10⁻³ ng/mL and this value decreased in the presence of a complementary DNA (cDNA) to 0.31 × 10⁻³ ng/mL. The electrodes (using GCE-GO-CoPc(π-π)-Aptamer-cDNA) were found to be selective to PSA in the presence of interfering molecules: BSA (bovine serum albumin), glucose, <span>l</span>-cysteine and was also found to be stable when 50 scans were done.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117591"},"PeriodicalIF":2.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144072384","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":"Radiographic, mechanical, and chemical properties of mineral trioxide aggregate from nanosilica and clam shell calcium carbonate","authors":"Leny Yuliatun ,&nbsp;Muhammad Adly Rahandi Lubis ,&nbsp;Muhammad Khaliim Jati Kusala ,&nbsp;Lia Destiarti ,&nbsp;Ratna Betriani ,&nbsp;Jolang Budiarta ,&nbsp;Mariyam Mariyam","doi":"10.1016/j.poly.2025.117590","DOIUrl":"10.1016/j.poly.2025.117590","url":null,"abstract":"<div><div>This study synthesized mineral trioxide aggregate (MTA) using nano silica and clam shells-derived calcium carbonate, incorporating various radiopacity agents such as bismuth oxide (Bi₂O₃), zinc oxide (ZnO), and strontium oxide (SrO). The physicochemical characteristics of the synthesized MTA were evaluated to determine the optimal compositions for endodontic applications. The synthesis was conducted using the sol–gel method, which involved solvent mixing, heating, and gel formation, followed by a solid-state reaction at 1000 °C. The obtained products were characterized using XRD, FTIR, and SEM-EDX. The properties of MTA products, including radiopacity, compressive strength, diametral tensile strength, pH, and calcium ion release, were evaluated. Results indicated that ZnO/MTA and SrO/MTA exhibited superior characteristics, forming stable cement structures with the compressive strength of 12.69 ± 0.93 and 11.15 ± 1.26 MPa, respectively, after 14 days of hydration. Bi₂O₃/MTA demonstrated the highest radiopacity value of 7.96 ± 0.18 mmAl, followed by SrO/MTA (4.17 ± 0.10 mmAl) and ZnO/MTA (3.43 ± 0.35 mmAl). All synthesized products maintained an alkaline pH throughout the 14-day immersion period and exhibited calcium ion release, which was beneficial for inducing apatite formation. These findings suggest that ZnO and SrO are effective radiopacity agents in MTA synthesized from nano silica and clam shell-derived calcium carbonate, enhancing its suitability for endodontic treatments.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117590"},"PeriodicalIF":2.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089227","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}