Polyhedron最新文献

{"title":"Pd@CuMoO₄ as a synergistic polyoxometalate catalyst for the suzuki-miyaura and sonogashira-hagihara coupling reactions","authors":"Mohammad Gholinejad ,&nbsp;Hawzhin Karimzadeh ,&nbsp;José M. Sansano","doi":"10.1016/j.poly.2025.117799","DOIUrl":"10.1016/j.poly.2025.117799","url":null,"abstract":"<div><div>Herein, design, synthesis, and catalytic evaluation of a novel polyoxometalate-supported nanocatalyst, Pd@CuMoO₄ is reported. Using palladium at ppm levels, the catalyst demonstrated high activity in both Suzuki–Miyaura and Sonogashira–Hagihara cross-coupling reactions. It efficiently promoted C<img>C bond formation between aryl halides and boronic acids or terminal alkynes, achieving excellent product yields. The enhanced performance was attributed to the synergistic interactions CuMoO₄ and Pd within the catalyst framework. Additionally, Pd@CuMoO₄ was recyclable for several runs in the Suzuki–Miyaura reaction with small loss of catalytic activity. The structural stability of the reused catalyst was confirmed by comprehensive analytical characterization.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117799"},"PeriodicalIF":2.6,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145158449","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 biological evaluation of Schiff base ligand and their metal complexes: implications for coordination chemistry and biomedical applications","authors":"N. Sridevi ,&nbsp;D. Madheswari","doi":"10.1016/j.poly.2025.117796","DOIUrl":"10.1016/j.poly.2025.117796","url":null,"abstract":"<div><div>“Schiff base Metal Complex” (SBMC) have received increased attention in coordination chemistry for their versatility and promising biomedical applications in the last decade. The target of this research includes the composite, characterization and biological evaluation of “Schiff base Ligand” (SBL) as well as their metal complexes with Mn, Co, Ni, Cu and Zn. By systematically synthesizing these metal complexes and characterising their structural and spectral properties by NMR, FTIR, XRD, SEM, electronic spectra and ESI mass spectrometry, I have gained an understanding of the behaviour of Pd on the semiconductor that provides indications of its nature. Antioxidant, antibacterial and cytotoxicity assays were used to test biological activity with Cu (II) complex having the highest antioxidant activity (85 % inhibition, IC50 = 6 μM) and cytotoxic activity towards MCF7 cancer cells. Mn (II) together with Ni (II) Co (II) and Zn (II) exhibited reasonable biological actions which were detected in their structures. Complex studies showed that Cu (II) exhibited the strongest DNA binding capacity making it an exceptional anticancer agent. Bioactivity in SBMC is largely determined by metal ion species combined with the organic moiety according to the findings of this investigation. Results indicate that Cu (II) and Mn (II) complex shows exceptional potential to address diseases associated with oxidative stress and cancer. The development of new metal-based drugs along with potential biomedical uses of SB complexes benefits from the current jury of SB complexes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117796"},"PeriodicalIF":2.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119396","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":"Interaction of ruthenium(II) complexes [Ru(phen)2(o-CNPIP)]2+ and [Ru(phen)2(o-CH3PIP)]2+ with double-stranded RNA poly(rA)•poly(rU) in both dilute and molecular crowding solutions","authors":"Keliang Wan ,&nbsp;Lifeng Tan","doi":"10.1016/j.poly.2025.117795","DOIUrl":"10.1016/j.poly.2025.117795","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Double-stranded RNA determines and regulates many biological processes in cells, plays a vital role in cell information transmission and gene regulation, and is a key target for the treatment of certain diseases. Here, we synthesized and characterized two novel ruthenium(II) complexes [Ru(phen)&lt;sub&gt;2&lt;/sub&gt;(&lt;em&gt;o&lt;/em&gt;-CNPIP)]&lt;sup&gt;2+&lt;/sup&gt;(Ru&lt;strong&gt;1&lt;/strong&gt;) and [Ru(phen)&lt;sub&gt;2&lt;/sub&gt;(&lt;em&gt;o&lt;/em&gt;-CH&lt;sub&gt;3&lt;/sub&gt;PIP)]&lt;sup&gt;2+&lt;/sup&gt;(Ru&lt;strong&gt;2&lt;/strong&gt;, phen = 1,10-phenanthroline, &lt;em&gt;o&lt;/em&gt;-CNPIP = (2-(4-cyanodipyrido)-imidazo-[4,5-&lt;em&gt;f&lt;/em&gt;][1,10]-phenanthroline, &lt;em&gt;o&lt;/em&gt;-CH&lt;sub&gt;3&lt;/sub&gt;PIP = 2-(4-methyl)-imidazo-[4,5-&lt;em&gt;f&lt;/em&gt;][1,10]-phenanthroline). The interaction of the two Ru (II) complexes with double-stranded RNA poly(rA)•poly(rU) under dilute solution and molecular crowding conditions was studied by various spectroscopic methods and viscosity measurements. The results of UV–vis absorption spectroscopy and steady-state emission spectroscopy studies show that Ru&lt;strong&gt;1&lt;/strong&gt; showed stronger binding and stabilizing ability to poly(rA)•poly(rU) and the binding affinity of Ru&lt;strong&gt;1&lt;/strong&gt; and Ru&lt;strong&gt;2&lt;/strong&gt; to poly(rA)•poly(rU) was weakened under molecular crowding conditions. Subsequently, the results of circular dichroism spectroscopy studies, thermal denaturation measurements and viscosity measurements also confirmed the results of our UV–vis absorption spectroscopy and steady-state emission spectroscopy studies. The results also showed that the two Ru(II) complexes bind, stabilize and perturb the structure of poly(rA)•poly(rU) by intercalation under dilute solution and molecular crowding conditions. In addition, it was found that the strength of these abilities was closely related to the binding affinity of the Ru(II) complexes to poly(rA)•poly(rU) by comparing the results of these studies. Furthermore, the thermodynamic parameters for the binding of Ru(II) complexes to poly(rA)•poly(rU) under the two conditions indicate that the binding process is spontaneous, is an enthalpy-driven process, and that hydrogen bonding serves as the dominant force. The purpose of this work is to explore the substituent effect of Ru(II) complexes and the effect of solution environment on the ability of Ru(II) complexes to bind and stabilize poly(rA)•poly(rU). Some insights resulting from this work are expected to facilitate the design of highly selective double-stranded RNA binders based on Ru(II) complexes. Interestingly, the phosphorescence intensity of Ru&lt;strong&gt;2&lt;/strong&gt; after binding to poly(rA)•poly(rU) is significantly higher than that of Ru&lt;strong&gt;1&lt;/strong&gt; under both solution conditions, with even stronger phosphorescence emission observed under molecular crowding conditions. This indicates that Ru&lt;strong&gt;2&lt;/strong&gt; possesses the potential to serve as a nucleic acid luminescent probe for nucleic acid imaging in biological cells. To enhance its luminescent properties and specific binding capacity, further structural modifi","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117795"},"PeriodicalIF":2.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106325","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":"Thermally stable K2ZnP2O7: Eu3+ red emitting phosphor for w-LEDs","authors":"Yifeng Liu ,&nbsp;Yifei Liu ,&nbsp;Meihua Wu ,&nbsp;Yuena Jiang ,&nbsp;Zhaohui Huang ,&nbsp;Xin Min ,&nbsp;Ruiyu Mi","doi":"10.1016/j.poly.2025.117797","DOIUrl":"10.1016/j.poly.2025.117797","url":null,"abstract":"<div><div>Red phosphors with good luminescent properties have attracted widespread attention because they can satisfy the lighting requirement of white LEDs (Light Emitting Diode) preferably. K₂ZnP₂O₇: Eu³⁺ powder with a stable structure was successfully synthesized via the high-temperature solid-state method, involving a two-step process: pre-sintering at 450 °C for 12 h followed by sintering at 650 °C for 8 h. Under the excitation of 394 nm near ultraviolet light, the phosphor produces bright red emission. The highest emission peak of the K₂Zn_(1–1.5x)P₂O₇: xEu³⁺ (x = 0.1) phosphor is located at 595 nm (⁵D₀ → ⁷F₁), followed by the red emission peak at 612 nm (⁵D₀ → ⁷F₂). When the temperature reaches 150 °C, the emission integral intensity of K₂ZnP₂O₇: 0.1Eu³⁺ remains 91.1% of that at room temperature (ΔE = 0.1946 eV), which proves that K₂ZnP₂O₇: Eu³⁺ has good thermal stability. In addition, the CIE (International Commission on Illumination) coordinates of the white LED packaged by K₂ZnP₂O₇: 0.1Eu³⁺ are (0.3312,0.3578), and the CCT (Correlated Color Temperature) and CRI (Color Rendering Index) of the LED lamp are 5765 K and 87.6, respectively. This indicates that K₂ZnP₂O₇:Eu³⁺ is promised as a red-emitting phosphor for white LED excited by near-ultraviolet chips.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117797"},"PeriodicalIF":2.6,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096653","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":"Nickel(II) complexes of 2-hydroxy-benzaldehyde-thiosemicarbazone: Catalase inhibition, antioxidant, DFT, and chemical activities","authors":"Şükriye Güveli ,&nbsp;Namık Özdemir ,&nbsp;Mustafa Özyürek ,&nbsp;Tülay Bal-Demirci ,&nbsp;Bahri Ülküseven","doi":"10.1016/j.poly.2025.117789","DOIUrl":"10.1016/j.poly.2025.117789","url":null,"abstract":"<div><div>The mixed ligand nickel(II) complexes with an <em>ONS</em> coordination mode were synthesized by reacting <em>N</em>-methyl- and <em>N</em>-phenyl-thiosemicarbazone ligands derived from 3-bromo-5-chloro-2-hydroxy-benzaldehyde with triphenylphosphine and characterized. In the molecular structure of the complexes (<strong>1</strong> and <strong>2</strong>), the nickel center has a distorted square planar environment via <em>ONSP</em> atoms. The antioxidant capacities by CUPRAC, free radical scavenging activities by DPPH, and the catalase enzyme (CAT) inhibitory activities of the synthesized compounds with <em>ONS</em> coordination mode and previously prepared complexes with <em>ONN</em> mode were investigated. The CUPRAC studies showed that the ligands and their complexes containing <em>ONS</em> donors provide much more activity than those having <em>ONN</em> donors. According to the results, <strong>1</strong> was found to have the most effective CAT activity. Furthermore, Density Functional Theory (DFT) studies were conducted at the CAM-B3LYP/cc-pVDZ/LANL2DZ(Ni) level to gain deeper insights into the structural, chemical, spectroscopic, and electronic properties of the compounds. In general, there was an acceptable agreement between the experimental and theoretical structural and spectroscopic results. The energy gap between the highest occupied molecular orbitals (HOMO) and lowest unoccopied (LUMO) was found 6.119 and 6.007 eV for <strong>1</strong> and <strong>2</strong>, respectively. Computational studies have compared the differences in chemical activity between the <em>ONS</em> and <em>ONN</em> systems and supported the higher activity of <em>ONS</em> complexes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117789"},"PeriodicalIF":2.6,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096651","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":"Enzyme-inspired catalysts for ethylene epoxidation","authors":"Vasanthapandiyan Mari,&nbsp;Vanshika Jain,&nbsp;Naiwrit Karmodak","doi":"10.1016/j.poly.2025.117741","DOIUrl":"10.1016/j.poly.2025.117741","url":null,"abstract":"<div><div>Ethylene oxide (EO) is a primary industrial precursor for synthesizing several chemicals and fuels. In recent years, efficient design techniques for catalysts to reduce the cost of epoxidation and improve product selectivity have been of prime interest. This study uses the Density Functional Theory method and electronic structure analysis to investigate the efficiency of six enzyme-inspired catalysts for epoxidation of ethylene under ambient temperature and mild oxidizing agent (N₂O). We consider a metal-embedded porphyrin framework mimicking the micro-environment of the cytochrome P450 enzyme to build the model catalysts. The three transition metal atoms, Mn, Fe, and Co, are chosen as the active sites. The axial cysteine linkage is modified with a thiol ligand to reduce the computational cost. Mn and Fe complexes show intermediate to higher spin states as the most stable, whereas Co complexes show low to intermediate spin states as the preferred ground state. Comparing the reaction thermodynamics and kinetic energy barriers, we determine the feasible reaction mechanism and the active intermediates involved during the reaction. The activation barriers vary based on the occupancy of the frontier <em>d</em>-states of the metal centers. The Mn and Fe-embedded porphyrin framework without the axial thiol ligand at the quartet (IS) and quintet spin (HS) states shows the most efficient activity and selectivity for epoxide formation. The spin density analysis of the intermediates shows that the reaction prefers a radical pathway.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117741"},"PeriodicalIF":2.6,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145158448","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":"Syntheses, structures, photophysical and photochemical research of a series of coordination polymer analogues: [M(pda)(bpeb)]n, (M = Zn, Ni and Co, pda = 1,4-phenylenediacrylate, bpeb = 1,4-bis[2-(4-pyridyl)ethenyl]benzene)","authors":"Xi-Ling Deng ,&nbsp;Cheng-Yue Xiao ,&nbsp;Shi-Yao Yang","doi":"10.1016/j.poly.2025.117793","DOIUrl":"10.1016/j.poly.2025.117793","url":null,"abstract":"<div><div>Three coordination polymers <strong>[M(pda)(bpeb)]</strong>_{<strong>n</strong>}, <strong>1</strong>, <strong>2</strong> and <strong>3</strong> (M = Zn, Ni and Co, <strong>bpeb</strong> = 1,4-bis[2-(4-pyridyl)ethenyl]benzene, and <strong>pda</strong> = 1,4-phenylenediacrylate) have been synthesized and characterized. Their structures have been carefully investigated. They are compact 8-fold interpenetrating three-dimensional diamondoid network structures. Photophysical and photochemical investigations have been carried out. The <em>d</em> and <em>θ</em> for the closest C<img>C bonds in <strong>1</strong>–<strong>3</strong> are: 3.714 Å, 35.62°; 4.007 Å, 47.92° and 3.865 Å, 40.817°, respectively. The distances conform to Schmidt's rule, but the angles deviate far from the 0° required by Schmidt's rule, yet they are less than the 70–100° range for structures that may potentially undergo photochemical reaction. Photochemical studies have confirmed that these compounds are inert to photochemical reactions. Photoaddition cannot occur because the <em>θ</em> angle between the C<img>C double bonds is between 15 and 55°. An extended Schmidt's rule is proposed to consider the influence of the <em>θ</em> angle between 0 and 115° on the photoaddition: <em>θ</em> should be 0–15° for direct photoaddition; or 55–115° for photoaddition after photoisomerization; and <em>θ</em> = 15–55° is very unlikely to undergo photoaddition.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117793"},"PeriodicalIF":2.6,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106324","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":"An oxalate-bridged pyridylphosphonate-Eu coordination polymer as a dual-probe for highly sensitive detection of Fe3+ and trans, trans-muconic acid","authors":"Yi-Ling Liu,&nbsp;Pin-Yi Li,&nbsp;Rui Zhang,&nbsp;Ping Zou,&nbsp;Guang-Tu Wang","doi":"10.1016/j.poly.2025.117779","DOIUrl":"10.1016/j.poly.2025.117779","url":null,"abstract":"<div><div>Although pyridine phosphonic acid coordination polymers exhibit structural diversity and notable properties, their crystallinity is often compromised by weak pyridine nitrogen coordination. This study addresses this limitation by leveraging oxalic acid's strong metal-bridging capability to construct the highly crystalline {[Eu₂(3-pmp)(H₂O)₂(C₂O₄)₃]·4H₂O}ₙ, comprehensively characterized by XRD, TGA, PXRD, PL, TEM, EDS, and BET analyses. The resultant Eu coordination polymer demonstrates intense characteristic red emission and functions as a dual-probe for highly sensitive detection of Fe³⁺ (LOD = 1.41 × 10⁻⁵ mol/L) and trans,trans-muconic acid (LOD = 7 × 10⁻⁵ mol/L). It exhibits stability under rigorous conditions: aqueous environments, broad pH range (2−10), thermal stress (≤260 °C), and maintains functionality over &gt;4 cycles in environmental water and urine samples. Mechanistic studies reveal synergistic fluorescence quenching via competitive ultraviolet absorption and photoinduced electron transfer (PET).</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117779"},"PeriodicalIF":2.6,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096946","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":"Synergistic effect of pulsed-laser-deposited PbS nanoparticles on porous silicon for indoor air remediation","authors":"Ameni Rebhi ,&nbsp;Mabrouk Abidi ,&nbsp;Anouar Hajjaji ,&nbsp;Mounir Gaidi ,&nbsp;Brahim Bessais ,&nbsp;Amine Aymen Assadi ,&nbsp;Fekri Abdulraqeb Ahmed Ali ,&nbsp;My Ali El Khakani","doi":"10.1016/j.poly.2025.117786","DOIUrl":"10.1016/j.poly.2025.117786","url":null,"abstract":"<div><div>This study investigates the photocatalytic performances of incorporating lead sulfide (PbS-NPs) onto porous monocrystalline silicon (PS/c-Si) structures (PbS-NPs/PS/c-Si) for volatile organic compounds (VOCs) removal from indoor air. Here the butane-2, 3-Dione (BUT: C₄H₆O₂) is chosen as pollutant model due to its presence in the cheese industry. The porous silicon (PS) layers were synthesized using the electrochemical anodization procedure on the mono-crystalline silicon (mc-Si) substrate. The deposition of PbS-NPs on the porous silicon layer was performed using the pulsed laser deposition (PLD) technique. The average size of PbS-NPs varied from 9 nm to 16 nm as the number of laser ablation pulses (NLP) increased from 500 to 10,000. The Scanning electron microscopy (SEM) analysis indicated that an increase in laser ablation pulses leads to the aggregation of the PbS-NPs. Atomic Force Microscopy measurements showed that the root means square (RMS) roughness of the PbS-NPs/PS/c-Si structure increased with NLP and reached its maximum value at NLP = 5000, which is probably due to the aggregation of PbS-NPs and the increase in NP size. The adsorption spectra indicated that the PbS nanoparticles possess an indirect optical bandgap ranging from 0.86 eV to 0.93 eV. This bandgap reflects excitonic transitions, which are strongly influenced by surface state defects, especially in smaller NPs (NLP &lt; 2500). At the optimized PbS-NPs laser pulses (N_LP = 5000), the catalyst exhibited a high photocatalytic efficiency for BUT removal, reaching 82 %.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117786"},"PeriodicalIF":2.6,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096781","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":"DFT and experimental insights into a colorimetric pyridine-2,6-dicarboxamide chemosensor for selective Cu2+ detection","authors":"Anand Kumar Anand ,&nbsp;Maroof Ali Khan ,&nbsp;Ritesh Sharma ,&nbsp;Sain Singh ,&nbsp;Netra Pal Singh ,&nbsp;Nirma Maurya ,&nbsp;Anand Ratnam","doi":"10.1016/j.poly.2025.117787","DOIUrl":"10.1016/j.poly.2025.117787","url":null,"abstract":"<div><div>Developing efficient and selective chemosensors for metal ion detection is essential for environmental monitoring, biological applications, and industrial processes. Herein, we report the synthesis of a novel colorimetric chemosensor, <strong>PCNTH</strong>_{<strong>2</strong>}, derived from pyridine-2,6-dicarboxylic acid and 5-nitrothiazol-2-amine, capable of selectively detecting Cu²⁺ ions with high sensitivity. The chemosensor exhibits a distinct colour change upon binding with the target ions, enabling naked-eye detection without sophisticated instrumentation. UV–Vis spectroscopic studies reveal strong and specific interactions between the chemosensor and Cu²⁺ ions, with detection limits in the micromolar range. Job's plot analyses indicate a 1:1 stoichiometric complexation, supported by density functional theory (DFT) calculations and spectral data. This work underscores the potential of <strong>PCNTH</strong>_{<strong>2</strong>} as a versatile platform for ion detection in diverse applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117787"},"PeriodicalIF":2.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096782","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}