Polyhedron最新文献

{"title":"Homogeneous catalytic oxidation of thymol with dinuclear Cu(II)-2-phenyl propionate-bipyridine complex","authors":"İbrahim Kani","doi":"10.1016/j.poly.2024.117312","DOIUrl":"10.1016/j.poly.2024.117312","url":null,"abstract":"<div><div>A carboxylate-bridged dinuclear copper(II) complex, [Cu₂(μ₂-η²:η¹(ppa)₂(μ₂-η¹:η¹ (ppa)bpy)₂]·ClO₄·H₂O (ppa (C₉H₉OO) = 2-phenyl propionate, bpy = 2,2′-bipyridine), was prepared and its structure was determined by X-ray diffraction analysis. The octacoordinated Cu(II) dimer complex exhibits an asymmetric conformation, with the metal centers linked by two distinct modes of the carboxylate group. These include an asymmetric chelating bridging bidentate involving two ppa ligands and a <em>syn-syn</em> bidentate bridging mode involving one ppa ligand. The complex was employed as a catalyst for the oxidation of thymol, demonstrating a high degree of quantitative conversion and selectivity with TBHP across a range of solvents at moderate temperatures. The homogeneous catalytic system, comprising Cu(II)-2-phenyl propionate-bipyridine, <em>tert</em>-butylhydroperoxide (TBHP) as oxidant, and a polar aprotic solvent (acetonitrile or acetone), demonstrated high turnover numbers (TOF) in the absence of any additives. The impact of temperature, solvent, the ratio of thymol to TBHP, different oxidants and the quantity of catalyst on the catalytic activity and product selectivity was examined. Under optimized conditions, the maximum conversion of thymol (100 %) was obtained with 100 % selectivity to thymoquinone with TBHP after 35 min at the thymol to catalyst mole ratio of 267 (TOF = 449 h⁻¹) in acetonitrile (MeCN) at 55 °C. Based on the available evidence, this activity and selectivity to thymoquinone represent the highest reported level of performance achieved by a homogeneously copper-catalysed process.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117312"},"PeriodicalIF":2.4,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142745059","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 structure of trans-HfCl4(OEt2)2 and cis-ReCl4(OEt2)2, and computational studies of Group 4 to Group 7 MCl4(OEt2)2 isomer preferences (M = Zr, Hf, Nb, Ta, Mo, W, Re)","authors":"Thomas E. Shaw ,&nbsp;Julia G. Knapp ,&nbsp;Taylor M. Currie ,&nbsp;Stosh A. Kozimor ,&nbsp;Titel Jurca ,&nbsp;Thomas M. Gilbert ,&nbsp;Alfred P. Sattelberger","doi":"10.1016/j.poly.2024.117314","DOIUrl":"10.1016/j.poly.2024.117314","url":null,"abstract":"<div><div>The bis(diethyl ether) adducts of early transition metal chlorides, MCl₄(OEt₂)₂, serve as excellent precursors for complex inorganic and organometallic compounds due to the lability of the coordinated ethers. Previously reported MCl₄(OEt₂)₂ (M = Zr, Nb, Ta, Mo, W) complexes have crystallized with the ethers in a <em>trans</em> conformation, even though computational studies have predicted that compounds of the type MX₄L₂ should form <em>cis</em> isomers. Herein, we report the crystal structure of <em>trans</em>-HfCl₄(OEt₂)₂ and the synthesis and structure of <em>cis</em>-ReCl₄(OEt₂)₂. The report of the crystal structure of the Hf analog completes the Groups 4–6 2nd and 3rd row series and provides structural context regarding the <em>trans</em> preference and observations in M-Cl and M-O bond distances that are corroborated by Shannon’s ionic radii of the M(IV) cations. The isolation of the <em>cis</em>-Re analog provides the first structural example of a Group 7 MCl₄(OEt₂)₂ complex, as well as the first <em>cis</em> complex in the presented series. Computational studies were conducted to examine the <em>cis</em>/<em>trans</em> preferences across the entire series in the context of ionic radii, ligand hardness, and steric influence.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117314"},"PeriodicalIF":2.4,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756853","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":"Ruthenium-based macrocyclic and Schiff base complexes as prominent therapeutic agents: Their designing, synthesis and recent perspectives","authors":"Urmila Phageria ,&nbsp;Sushama Kumari ,&nbsp;Krishna Atal ,&nbsp;Swati Bugalia","doi":"10.1016/j.poly.2024.117309","DOIUrl":"10.1016/j.poly.2024.117309","url":null,"abstract":"<div><div>The role of macrocyclic and Schiff base complexes in chemistry and life sciences offers vast opportunities to the researchers. Herein, this review focuses on the recent developments in ruthenium-based macrocyclic complexes and their utilities. Nowadays, ruthenium-based macrocyclic complexes are substantially exploited in copious applications, such as antioxidant, anticancer, antimicrobial, catalysis, sensors, pigments, dyes, etc. are a few of them. This study combines innovations in modelling and employment of these macrocyclic ligands and their complexes with ruthenium that serves as an interaction between the fields of chemistry, physics and biology. Probably Ru(II) and Ru(III) complexes achieve a wider holder of a three-dimensional scaffold through octahedral bonding, which opens up the possibility for a greater level of site diversity for attaching to their biological substrates. This study also expresses a broader overview of the topic and aims to highlight developments in ligand designing, synthetic methods, and potent applications especially as prominent therapeutic agents of these metal complexes in diverse areas. Additionally, some of the Schiff bases complexes with the same metal are also highlighted with their prominent applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117309"},"PeriodicalIF":2.4,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702204","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":"Robust Y and Lu TrenSal catalysts for ring-opening polymerisation","authors":"Eszter Fazekas ,&nbsp;Alvaro Etcheverry-Berrios ,&nbsp;Gary S. Nichol ,&nbsp;Stergios Piligkos ,&nbsp;Euan K. Brechin ,&nbsp;Jennifer A. Garden","doi":"10.1016/j.poly.2024.117308","DOIUrl":"10.1016/j.poly.2024.117308","url":null,"abstract":"<div><div>Mono and bimetallic cage-like TrenSal complexes based on rare-earth metals Y and Lu were synthesised and fully characterised by single crystal and powder X-ray diffraction, multinuclear NMR and IR spectroscopy, and MALDI-ToF mass spectrometry. These robust and air-stable complexes are active catalysts for the ring-opening polymerisation of <em>rac</em>-lactide. While the polymerisation activity is low, the complexes remain active in air using unpurified monomers, and are highly unusual examples of metal–organic cages applied in polymerisation. MALDI-ToF mass spectrometry studies of the obtained polymers revealed H and OBn end-capped chains suggesting that an ‘activated monomer’ mechanism predominates when BnOH is used as an exogenous initiator.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117308"},"PeriodicalIF":2.4,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702195","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 of series of transition metal-ligand (TM-L), μ2-O-TM, μ3-O-TM-L borates: Characterization and oxygen reduction reaction (ORR) activity property exploration","authors":"Zhen-Ping Liao ,&nbsp;Shu-Sheng Xin ,&nbsp;Wei Li ,&nbsp;Chun-Yang Pan","doi":"10.1016/j.poly.2024.117304","DOIUrl":"10.1016/j.poly.2024.117304","url":null,"abstract":"<div><div>A series of borates <strong>1</strong>–<strong>6</strong>, have been synthesized under mild conditions, single crystal X-ray diffraction indicates that they possess three types of metal complex configurations in borate crystalline, exemplified as TM-L for <strong>3</strong> and <strong>4</strong>, <em>μ</em>₂-O-TM for <strong>2</strong>, <em>μ</em>₃-O-TM for <strong>1</strong>, <strong>5</strong> and <strong>6</strong>. <strong>5</strong> and <strong>6</strong> exhibit both four-coordinated and six-coordinated metal ions in one single crystal lattice. <strong>1</strong> to <strong>6</strong> are further characterized by powder X-ray diffraction, elemental analysis, IR spectrum and UV–vis spectroscopy. In addition, the ORR activities of them are performed. Among them, cobalt borate-based catalyst exhibits the best catalytic performance, with a half-wave potential of 0.82 V. Furthermore, the relationship between the ORR properties of TM complex borates and their framework densities was explored.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117304"},"PeriodicalIF":2.4,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702197","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":"Polyoxometalates ionic liquids based magnetic nanocomposites as an efficient heterogeneous catalysts for oxidation of thiobenzoic acid and dibenzothiophene by employing RP-HPLC-UV","authors":"Roman Jaffar ,&nbsp;Najla AlMasoud ,&nbsp;Khurram Shahzad Munawar ,&nbsp;Sana Rauf ,&nbsp;Taghrid S. Alomar ,&nbsp;Hafiz Muhammad Asif ,&nbsp;Zeinhom M. El-Bahy ,&nbsp;Hameed Ullah ,&nbsp;Saifullah","doi":"10.1016/j.poly.2024.117311","DOIUrl":"10.1016/j.poly.2024.117311","url":null,"abstract":"<div><div>Sulfur compounds need to be effectively rejected from fuel to maintain a clean environment. The removal of sulfur compounds from thiocompounds has received increased attention due to the negative environmental and industrial consequences of sulfur emissions. We examine the effectiveness of polyoxometalate (POM) ionic liquid-based nanocomposites as catalysts for the oxidative desulfurization of thiobenzoic acid and other sulfur-containing chemicals. Na-POMIL@NCP and Cr-POMIL@NCP were synthesized and thoroughly characterized using a variety of analytical techniques, including Fourier-transform infrared spectroscopy (FT-IR), UV–visible spectroscopy, powder X-ray diffraction (P-XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), fluorescence spectroscopy, and vibrating sample magnetometer (VSM). POMIL-based nanocomposites with Fe₃O₄@SiO₂ exhibit both catalytic activity and adsorption capability. To evaluate sulfur removal efficiency and investigate the transformation paths of the thio compounds, high-performance liquid chromatography (HPLC) was performed at 33 °C using a C18 column with an acetonitrile–water mobile phase (1:1 ratio). The catalytic conversion of thiobenzoic acid and dibenzothiophene occurs at temperature, oxidant O/S ratio and catalyst concentration were investigated to determine the best catalyst for a given process. Under moderate conditions, this work proposes a cost-effective and ecologically acceptable approach for thiobenzoic acid (TB) and dibenzothiophene (DBT) production employing H₂O₂ as an oxidant and Na-POMIL@NCP and Cr-POMIL@NCP as heterogeneous catalysts. They are highly effective for oxidizing sulfur compounds included in diesel to lower the sulfur levels of fuel. This study provides to the development of innovative materials for ecologically friendly sulfur removal applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117311"},"PeriodicalIF":2.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702202","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":"New complexes of [5,10,15,20-(tetraphenylporphyrin)] and dichloride (5,10,15,20-tetraphenylporphyrinato) antimony(V) hexachloridoantimonate(V) functionalized with polyethyleneimine: Synthesis, characterization, and application in Eriochrome Black T adsorption from water","authors":"Raoudha Soury ,&nbsp;Mahjoub Jabli ,&nbsp;Mabrouka El Oudi ,&nbsp;Khalaf M. Alenezi ,&nbsp;Ahmed Al Otaibi ,&nbsp;Fahad Abdulaziz ,&nbsp;Hind A. AlGhamdi ,&nbsp;Amor Bchetnia","doi":"10.1016/j.poly.2024.117305","DOIUrl":"10.1016/j.poly.2024.117305","url":null,"abstract":"<div><div>In the current work, new complexes namely [5,10,15,20 (tetraphenylporphyrin)] /Polyethyleneimine (H₂TPP-PEI) and Dichlorido(5,10,15,20-tetraphenylporphyrinato)antimony(V) hexachloridoantimonate(V)/Polyethyleneimine ([Sb(TPP)Cl₂][SbCl₆]-PEI) were successfully prepared and characterized. The prepared compounds were thoroughly analysed using ¹H NMR, UV, XRD, XRF, TGA-DTA, SEM, and EDAX. SEM analysis showed that the addition of polyethyleneimine to the porphyrin core clearly changed the morphological properties. The optical gap values were calculated using the tauc plot method and were equal to 1.877, 2.030, 1.862, and 2.017 eV for H₂TPP, [Sb(TPP)Cl₂] [SbCl₆], H₂TPP-PEI and ([Sb(TPP)Cl₂][SbCl₆]-PEI), respectively. The existence of sharp peaks at 2θ between 16° and 80° displayed the crystalline nature of the prepared porphyrinic compounds. The change in thermal decompositions for H₂TPP, [Sb(TPP)Cl₂][SbCl₆], H₂TPP-PEI and ([Sb(TPP)Cl₂][SbCl₆]-PEI) revealed that the addition of polyethyleneimine to porphyrin affected the thermal characteristics. The prepared complexes were, further, investigated for the adsorption of Eriochrome Black T (an anionic dye) from water. Highest adsorption capacities were accomplished using [Sb(TPP)(Cl₂)]-PEI (164 mg/g) and H₂TPP-PEI (82 mg/g) under the following experimental conditions (pH = 5, temperature = 19 °C, time = 60 min). However, the adsorption capacities remains poor for H₂TPP and Sn(TPP)(Cl₂). The adsorption data complied well with pseudo second order, Freundlich, and Temkin equations. Overall, the adsorption results had confirmed that polyethyleneimine functionalized porphyrins could be used as a proficient adsorbent of anionic dyes from water.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117305"},"PeriodicalIF":2.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702110","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 of tetraphenylphosphonium/polysulfide hybrids and their temperature-induced switchable WORM/flash electrical memory behavior","authors":"Zhaoxun Lian,&nbsp;Ning Zhao","doi":"10.1016/j.poly.2024.117301","DOIUrl":"10.1016/j.poly.2024.117301","url":null,"abstract":"<div><div>The development of innovative non-volatile storage materials is essential for the progression of next-generation high-performance storage devices. In this study, a hybrid material (Ph₄P)₂S₇ was synthesized, and single crystal structure analysis demonstrated that the organic tetraphenylphosphonium cation (Ph)₄P⁺ adopts a regular tetrahedral conformation and forms one-dimensional chains through C<img>H···π interactions. The (S₇)^2- anion, characterized by quasi-bicentric symmetry and a right-handed helical cluster, is confined within the one-dimensional quantum well established by the (Ph)₄P⁺ cation chain in the organic matrix. A device composed of FTO/(Ph₄P)₂S₇/Ag was fabricated through spin-coating, demonstrating remarkable temperature-induced switchable binary write-once-read-many-times (WORM)/Flash electrical memory behavior. At room temperature, the material demonstrated nonvolatile binary WORM-type resistance switching behavior with a switching ratio of 1.95 × 10³ and an onset voltage of 1.01 V. Conversely, at 150 °C, it transits into binary Flash-type resistance switching behavior characterized by current ratio of 3.34 × 10² and onset/reset voltages of 1.05/−1.99 V. The mechanism underlying binary resistive switching is identified as spatial charge-limited charge capture. Furthermore, the observed reversible transition between WORM- and Flash- type electrical memory behavior at elevated temperatures can be attributed to lattice expansion of the (Ph)₄P⁺ cations at high temperatures, resulting in denser packing of organic molecules and deeper trapping potential wells for electrons within the active layer. This study provides theoretical insights into developing novel high-performance information storage materials.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117301"},"PeriodicalIF":2.4,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702203","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":"Sensitivity of pure and Ni-decorated boron nitride B12N12 nanocages toward CH4, H2S, and N2 biogases: A DFT study","authors":"Tamer H.A. Hasanin ,&nbsp;Manar H.A. Hamad ,&nbsp;Nayra A.M. Moussa ,&nbsp;Asmaa M.M. Mahmoud ,&nbsp;Mohamed Y. El-Sayed ,&nbsp;Al-shimaa S.M. Rady ,&nbsp;Mahmoud A.A. Ibrahim","doi":"10.1016/j.poly.2024.117302","DOIUrl":"10.1016/j.poly.2024.117302","url":null,"abstract":"<div><div>The sensitivity of pure and Ni-decorated boron nitride (B₁₂N₁₂) nanocages toward CH₄, H₂S, and N₂ biogases was adequately unveiled by employing versatile density functional theory (DFT) calculations. In this regard, the Gas∙∙∙B₁₂N₁₂ and ∙∙∙Ni@B₁₂N₁₂ complexes were studied within all possible configurations. Based on the energetic quantities, the Ni@B₁₂N₁₂ nanocage exhibited higher sensitivity than the pure one toward the investigated gases. Among all studied complexes, the H₂S∙∙∙Ni@B₁₂N₁₂ complex exhibited the most favorable adsorption (<em>E</em>_ads) and interaction (<em>E</em>_int) energies with values of –29.25 and –29.46 kcal/mol, respectively. According to the outlines of the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) index analyses, the closed-shell nature of the interactions within the investigated complexes was ensured. Substantial alterations in the molecular orbitals distribution patterns of pure and Ni-decorated B₁₂N₁₂ nanocages were observed, announcing the occurrence of the adsorption process within the investigated complexes. The obtained negative values of thermodynamic parameters ensured the spontaneous exothermic nature of the investigated Ni-decorated complexes. Upon density of states (DOS) analysis, the influence of adsorbed gases on the electronic characteristics of the pure and Ni-decorated B₁₂N₁₂ nanocages was highlighted. According to the emerging findings, the pure and Ni-decorated B₁₂N₁₂ nanocages are promising sensing materials for biogas components, especially CH₄, H₂S, and N₂ gases.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"265 ","pages":"Article 117302"},"PeriodicalIF":2.4,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653630","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":"Self-assembly of tetra nuclear lanthanide (Pr, Nd) hydroxo clusters with functionalized β-diketone: Experimental and theoretical studies","authors":"Ananda Kumar Jami ,&nbsp;Pilli V.V.N. Kishore ,&nbsp;Venkatesan Srinivasadesikan ,&nbsp;Bharat Kumar Tripuramallu ,&nbsp;Maddina Sreenivasa Rao","doi":"10.1016/j.poly.2024.117306","DOIUrl":"10.1016/j.poly.2024.117306","url":null,"abstract":"<div><div>Reaction of LnCl₃·6H₂O (Ln = Pr, Nd) with functionalized β-Diketone {<em>ortho</em>-hydroxydibenzoylmethane (HO-DBM)} in 1:2 ratio in methanol and in presence of triethylamine (excess) as base yielded two tetra nuclear lanthanide hydroxo clusters of composition [Ln₄(O-DBM)₄(HO-DBM)₄(µ₃-OH)₂][Et₃NH]₂<strong>.</strong>3CH₂Cl₂, (Ln = Pr (<strong>1</strong>), Nd (<strong>2</strong>)). The clusters <strong>1</strong> and <strong>2</strong> has been structurally characterized by single crystal X-ray diffraction. A one-dimensional supramolecular chain is observed in the solid state structure (<strong>2</strong>), where dichloromethane solvent molecules are linked to the phenyl rings of adjacent diketone linkers through C<img>H⋯π and Cl⋯π interactions. Theoretical studies support the stability of structure (2), with calculated geometric parameters aligning with experimental findings.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117306"},"PeriodicalIF":2.4,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702198","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}