Polyhedron最新文献

{"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}

{"title":"CO release by redox stimuli and HSA interaction: Planning new CORMs based on µ-oxo triruthenium carbonyl clusters","authors":"Amanda Batista da Silva ,&nbsp;Nicolle A.P. dos Santos ,&nbsp;Renan Ribeiro Bertoloni ,&nbsp;Antônio Gustavo Sampaio de Oliveira-Filho ,&nbsp;Sofia Nikolaou","doi":"10.1016/j.poly.2025.117589","DOIUrl":"10.1016/j.poly.2025.117589","url":null,"abstract":"<div><div>Hydrogen peroxide promoted the release of carbon monoxide through the oxidation of the [Ru₃O(CH₃COO)₆(L)₂CO]⁰ complexes (L = pyridine (<strong>1a</strong>), dimethylpyrazine (<strong>2a</strong>) and 4-<em>tert</em>-butylpyridine (<strong>3a</strong>)). For <strong>1a</strong>, a two-step reaction was observed in acetonitrile, with pseudo-first order rate constants <em>k</em>^obs₁ = (10.9 ± 2.9) × 10⁻³ s⁻¹ and <em>k</em>₂ = (11.8 ± 0.8) × 10⁻⁴ s⁻¹, assigned to the oxidation reaction Ru^III,III,II/Ru^III,III,III followed by the substitution of the coordinated CO by a solvent molecule. In acetate buffer, only one-step was observable. Comparison of the reaction rate of three related clusters suggested a dependence of the rate constants with the basicity of the ligands. The 4-<em>tert</em>-butylpyridine ligand increases the oxidative-induced CO release, since σ-donation of electronic density by the more basic ligand facilitates the oxidation of the Ru(II) ion to Ru(III). We also addressed the possibility of interaction with a relevant biological target, using <strong>1a</strong> as example. It is suggested that <strong>1a</strong> interacts with human serum albumin (HSA) by the static mechanism, while the interaction of [Ru₃O(CH₃COO)₆(pyridine)₂H₂O]⁺ (<strong>1b)</strong>, the reaction product of <strong>1a</strong> oxidation, also has a contribution from the dynamic mechanism. This implies that weak interactions play a major role, since the labile point does not seem to favour adduct formation by coordinative bonding.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117589"},"PeriodicalIF":2.4,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089224","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":"Hydrothermally synthesized oxide tungsten nanomaterial for Rhodamine B photodegradation","authors":"S. Mokhtari ,&nbsp;S. Habi Ben Hariz ,&nbsp;H. Lahmar ,&nbsp;M. Benamira ,&nbsp;R. Gharib ,&nbsp;A. Djermoune ,&nbsp;F. Ait Merzeg ,&nbsp;M. Trari","doi":"10.1016/j.poly.2025.117587","DOIUrl":"10.1016/j.poly.2025.117587","url":null,"abstract":"<div><div>WO₃ nanoparticles are synthesized by hydrothermal route, followed by calcination at 600 °C in air. The oxide is successfully tested for the degradation of Rhodamine B (Rh B, 5 μM) under UV light (λ = 350 nm). The physicochemical methods, namely the X-ray diffraction (XRD), infrared spectroscopy, diffuse reflectance, and capacitance measurement were investigated for the characterization. XRD analysis confirms the formation of the single phase WO₃, crystallizing in a monoclinic structure. Optical characterization reveals a band gap energy of 2.60 eV, assigned to internal transition. The capacitance analysis made it possible to extract the flat band potential (E_fb = −0.25 V) with <em>n</em>-type conduction and an electrons density (N_D) of (0.49 × 10²⁰ cm⁻³). The photocatalytic activity of the catalyst shows a degradation of 91 % of Rh B, a stable and hazardous dye, within 120 min. under UV light. The photodegradation kinetic follows a first-order model with a rate constant of 2.5 × 10⁻³ min⁻¹.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117587"},"PeriodicalIF":2.4,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143941778","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":"Experimental characterization and advanced modeling of the adsorption of Rhodamine B and Crystal Violet on new cobalt metalloporphyrin adsorbent","authors":"Salah Knani ,&nbsp;Rim Salhi ,&nbsp;Mohamed Bouzid ,&nbsp;Juliana Machado Nascimento dos Santos ,&nbsp;Ridha Selmi ,&nbsp;Abdulaziz Alenazi ,&nbsp;Khaled Awwied Alenezi ,&nbsp;Guilherme Luiz Dotto","doi":"10.1016/j.poly.2025.117584","DOIUrl":"10.1016/j.poly.2025.117584","url":null,"abstract":"<div><div>A new Co-metalloporphyrin (Co(TCIPP)) was developed and used for the adsorption of Rhodamine B (RhB) and Crystal Violet (CV). Its performance as an adsorbent was tested based on experimental and theoretical studies. Based on the predicted values of the half-saturation concentrations, the estimated adsorption energies suggested that the RhB and CV were adsorbed on the Co(TCIPP) adsorbent surface via an endothermic process. The adsorption energy distributions (AED), via the Polayni equation, provided the localized adsorption band, ranging from 5 to 30 kJ mol⁻¹ and from 7.5 to 32.5 kJ mol⁻¹ for CV and RhB, respectively, anchored on Co(TCIPP). A molecular docking calculation was also performed. The results suggested that binding affinities belong to the energy band spectrum of Crystal Violet and Rhodamine B molecules, with values of 27.6 and 25.1 kJ mol⁻¹, respectively.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117584"},"PeriodicalIF":2.4,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143935875","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":"Neutral copper(I) complexes bearing bidentate bis[(2-diphenylphosphino) phenyl]ether ligand with various substituents: Synthesis, crystal structure and photophysical properties","authors":"A.S. Patil,&nbsp;A.H. Deshmukh,&nbsp;G.M. Kumbhar,&nbsp;S.S. Chavan","doi":"10.1016/j.poly.2025.117583","DOIUrl":"10.1016/j.poly.2025.117583","url":null,"abstract":"<div><div>Neutral four-coordinate copper(I) complexes with the general formula [Cu(<strong>L_1-3</strong>)<em>DPEphos</em>)], [where DPEphos denotes bis[2-(<em>diphenylphosphino</em>)<em>phenyl</em>]ether and <strong>L₁</strong> = (E)-1-phenyl-N-(quinolin-8-yl)methanimine, <strong>L₂</strong> = (E)-1-(4-methoxyphenyl)-N-(quinolin-8-yl)methanimine, and <strong>L₃</strong> = (E)-1-(4-nitrophenyl)-N-(quinolin-8-yl)methanimine] have been synthesized. These complexes were characterized through elemental analysis, IR spectroscopy, ¹H NMR, ¹³C NMR, and thermal analysis (TGA/DTA). The crystal structure of a representative complex (<strong>3</strong>) was determined by single-crystal X-ray diffraction, revealing a distorted tetrahedral geometry around the copper(I) center. The photophysical properties were investigated via absorption and emission spectroscopy in CH₂Cl₂ at room temperature. The incorporation of various substituents into the ligand backbone significantly influenced the absorption and emission characteristics of the copper(I) complexes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117583"},"PeriodicalIF":2.4,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068750","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, characterization, and multifunctional applications of a novel uranyl(VI) complex: Catalytic activity in synthesis of tetrahydro-4H-chromenes, glucose oxidation, and antimicrobial performance","authors":"S.Yousef Ebrahimipour ,&nbsp;Fatemeh Khajoee Nejad ,&nbsp;Mehrji Khosravan ,&nbsp;Jesus Castro ,&nbsp;Mahdieh Sheikhshoaei ,&nbsp;Zahra Hassani ,&nbsp;Azadeh Lohrasbi-Nejad ,&nbsp;Ghasem Mohamadi-Nejad","doi":"10.1016/j.poly.2025.117582","DOIUrl":"10.1016/j.poly.2025.117582","url":null,"abstract":"<div><div>This study investigates the synthesis, characterization, and multifaceted applications of the uranyl(VI) complex [UO₂(L)(DMF)₂], derived from a tridentate ligand [HL]. The synthesized complex was thoroughly characterized using various techniques, including elemental analysis, ¹H NMR, FT-IR, UV–Vis spectroscopy, conductivity measurements, and single-crystal X-ray diffraction. X-ray crystallography revealed a pentagonal bipyramidal geometry around the uranium(VI) center, with the ligand coordinating to the metal through O, N, and O’ donor atoms. The remaining coordination sites are occupied by two oxo groups and two DMF molecules. Electrochemical studies using cyclic voltammetry revealed quasi-reversible U(VI) to U(V) reduction. Hirshfeld surface analysis highlighted significant intermolecular interactions, including Br···Br halogen bonding, driving the supramolecular structure. The complex exhibited excellent catalytic activity in the synthesis of tetrahydro-4H-chromene derivatives, achieving high yields (94 %) under optimized conditions (8 mol% catalyst, 40 °C) with excellent reusability. Additionally, the complex exhibited excellent catalytic performance in the oxidation of glucose to gluconic acid under mild conditions, achieving a 98 % conversion yield in an alkaline medium. The proposed mechanism involves the formation of a hemiacetal intermediate, followed by catalytic dehydrogenation mediated by the uranyl complex. Furthermore, [UO₂(L)(DMF)₂] demonstrated significantly enhanced antibacterial activity compared to the free [HL] ligand, as evidenced by significantly lower MIC-30 and MIC-50 values, against both Gram-positive (<em>Staphylococcus aureus</em>, <em>Bacillus cereus</em>) and Gram-negative (<em>Escherichia coli</em>, <em>Pseudomonas aeruginosa</em>) bacteria.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117582"},"PeriodicalIF":2.4,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143935874","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":"On the nature of the boron-sulfur multiple bonds from the quantum chemical topology perspective – The theoretical investigation using electron localisation function (ELF)","authors":"Grzegorz Mierzwa ,&nbsp;Łukasz Fojcik ,&nbsp;Zdzisław Latajka","doi":"10.1016/j.poly.2025.117566","DOIUrl":"10.1016/j.poly.2025.117566","url":null,"abstract":"<div><div>The electron localization function (ELF) is a powerful quantum chemical tool for analysing bonding in molecules. This study applies ELF topological analysis to boron-sulfur (BS) bonds, distinguishing between single, double, and formally triple bonds. The results reveal that BS bonds exhibit strong polarity due to sulfur’s high electron-withdrawing capability. ELF analysis demonstrates that the concept of a triple BS bond is not supported, as the electron populations in bonding basins do not reach expected values for true triple bonds. Instead, these interactions are better described as resonance hybrids with covalent and dative contributions.</div><div>This study investigates 16 molecules containing BS bonds, selected to cover a range of bonding scenarios. The analysis of V(B,S) basin populations and BS bond lengths confirms distinct bonding characteristics. Formally single BS bonds exhibit the longest bond lengths (up to 1.922 Å) and the lowest basin populations (∼1.69e). Formally double bonds present intermediate bond lengths (1.799–1.850 Å) and basin populations around 1.97–1.98e. Molecules proposed to contain triple BS bonds display significantly lower basin populations (3.14–3.23e) than expected for true triple bonds, challenging their classification.</div><div>These findings refine our understanding of multiple bonding in boron chemistry and provide insights into electronic structure and reactivity. ELF analysis proves essential for characterizing bonding interactions beyond traditional valence models. The results have implications for designing BS-containing materials, particularly in catalysis and advanced applications. Further studies should examine external factors such as pressure, temperature, and substituent effects on BS bonding.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"277 ","pages":"Article 117566"},"PeriodicalIF":2.4,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928138","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}