Applied Organometallic Chemistry最新文献

{"title":"Amidophosphine Boranes as Easy Reducing Agents for Efficient Conversion of Nitro Compounds to Primary Amines With Iron Catalyst","authors":"Jyoti Sharma,&nbsp;Pooja Dutta,&nbsp;Abhijit Sau,&nbsp;Tarun K. Panda","doi":"10.1002/aoc.70015","DOIUrl":"https://doi.org/10.1002/aoc.70015","url":null,"abstract":"<div>\u0000 \u0000 <p>We report a direct and efficient methodology for the hydroboration of aliphatic and aryl nitro compounds using amidophosphine-borane {(C₆H₅)CH₂N(PPh)₂(BH₃)₂} in the presence of iron(II) chloride as a catalyst under mild conditions to form primary amines after hydrolysis. Solid amidophosphine-boranes are user-friendly and readily synthesized, revealing remarkable reducing properties toward a comprehensive range of nitro compounds. The scalability of the present approach is defined by performing gram-scale reactions and synthesis of different pharmaceuticals like paracetamol and benzocaine, demonstrating the synthetic applicability of the current strategy.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In Situ Fabrication of AgI/MIL-101(Cr) Nanocomposite Catalyst With Enhancing Photocatalytic Degradation of Organic Dye Molecules From Wastewater","authors":"Qiuyun Zhang,&nbsp;Maozhen He,&nbsp;Jialu Wang,&nbsp;Shijian He,&nbsp;Mei Deng,&nbsp;Yanhui Lei,&nbsp;Xiaojuan Zhang,&nbsp;Jingsong Cheng,&nbsp;Zhengjun Liu,&nbsp;Yutao Zhang","doi":"10.1002/aoc.70037","DOIUrl":"https://doi.org/10.1002/aoc.70037","url":null,"abstract":"<div>\u0000 \u0000 <p>The construction and optimization of an effective photocatalyst for photodegradation of persistent recalcitrant organic remains challenging. In this work, MIL-101(Cr)-based nanocomposites (AgI@MCr) are proposed to be fabricated by a simple, green solvent, and room temperature in situ preparation strategy, achieving a highly efficient photocatalytic degradation of organic dye rhodamine B (RhB) molecule under visible light irradiation. Extensive characterization (XRD, FTIR, N₂ adsorption–desorption, SEM and EDS, TG, XPS, UV–vis DRS, PL, transient photocurrent, and EIS) confirmed the composite material's structure, morphology, elemental composition, and optical characteristics. Among all the prepared nanocomposites, AgI@MCr-2 demonstrates outstanding photocatalytic performance for RhB with a removal efficiency of 95.4% within 70 min, and a reaction kinetics of 0.0392 min⁻¹, superior to pristine AgI or MIL-101(Cr), and also shows excellent durability, retaining over 80% RhB degradation efficiency after four cycles. Remarkably, the significant enhancement is attributed to the built interfacial contact and synergistic effect between substances in the nanocomposite, high specific surface area, strong visible light–harvesting capacity, low bandgaps, and high electron–hole pair separation. In addition, a possible degradation route for the AgI@MCr nanocomposite is further proposed using various analysis techniques. This study provides valuable references for developing effective multicomponent MOF-based photocatalytic composite materials for dyeing wastewater treatment and environmental remediation.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green Synthesis of New Water-Soluble Nickel (II) and Copper (II) Mixed-Ligand Complexes: Characterization, DFT, In Vitro Biological Evaluation, and COVID-19 Molecular Docking","authors":"Mai M. Khalaf,&nbsp;Hany M. Abd El-Lateef,&nbsp;Amro Ahmed Taha,&nbsp;Aly Abdou","doi":"10.1002/aoc.70027","DOIUrl":"https://doi.org/10.1002/aoc.70027","url":null,"abstract":"<div>\u0000 \u0000 <p>This study presents the synthesis, characterization, and bioevaluation of novel water-soluble nickel (NiMNPSCA) and copper (CuMNPSCA) mixed-ligand complexes. The complexes were synthesized in aqueous media using Ni (II) or Cu (II), sodium salicylate (SCA), and a Schiff base derived from 2-hydroxy naphthaldehyde (MNP). Comprehensive characterization was achieved using UV–vis, IR spectroscopy, mass spectrometry, elemental analysis, and thermal and magnetic techniques. Both complexes exhibited exceptional thermal stability (melting points &gt; 300°C), water solubility, and 1:1 electrolyte behavior. Structurally, NiMNPSCA adopts a tetrahedral geometry, while CuMNPSCA features an octahedral arrangement. Quantum chemical analyses revealed a narrower energy gap (<i>ΔE</i> = 3.06 eV) and a higher electrophilicity index (<i>ω</i> = 9.66) for CuMNPSCA, suggesting superior chemical reactivity and biological potential. Both complexes demonstrated significantly enhanced antibacterial, antifungal, and anti-inflammatory activities compared to their free ligands, with CuMNPSCA showing efficacy comparable to standard agents in both antimicrobial and anti-inflammatory applications. Notably, CuMNPSCA exhibited potent anti-inflammatory activity, achieving the highest inhibition rate and an IC₅₀ value competitive with ibuprofen. Molecular docking studies reinforced these findings, highlighting the strong binding affinities of CuMNPSCA to dihydropteroate synthase (DHPS, PDB ID: 5JQ9; −8.00 kcal/mol), cyclooxygenase (COX, PDB ID: 6COX; −9.80 kcal/mol), and the SARS-CoV-2 main protease (Mpro, PDB ID: 6LU7; −7.60 kcal/mol). Detailed interaction analysis revealed that metal coordination significantly enhanced the complexes' stability and binding efficacy through hydrogen bonds, π-π stacking, and π-cation interactions. This work positions NiMNPSCA and CuMNPSCA as highly promising candidates for antimicrobial, antifungal, and anti-inflammatory drug development, with CuMNPSCA emerging as a standout compound with strong therapeutic potential. Its multifaceted bioactivity, combined with robust structural stability and reactivity, underscores its potential as a versatile therapeutic agent, particularly in antimicrobial resistance and anti-COVID-19 strategies.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143248799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Versatile New Lanthanide Complexes Containing Organic Ligand Derived From Vitamin B6 as Potential Tyrosinase Inhibitors: Synthesis, Characterizations, and Structure Activity Investigations","authors":"Amir Karim,&nbsp;Saeed Ullah,&nbsp;Sobia Ahsan Halim,&nbsp;Wajid Ali,&nbsp;Ajmal Khan,&nbsp;Ahmed Al-Harrasi,&nbsp;Muhammad U. Anwar","doi":"10.1002/aoc.70024","DOIUrl":"https://doi.org/10.1002/aoc.70024","url":null,"abstract":"<div>\u0000 \u0000 <p>The synthesis, characterizations, and tyrosinase enzyme inhibition experiments on eight novel lanthanide metal complexes (<b>1</b>–<b>8</b>) are reported. A multidonor versatile ligand L was prepared from the condensation reaction of picolinohydrazide with pyridoxal. The synthesized complexes were analyzed using FT-IR and UV-vis spectroscopies, elemental (CHN) analysis, and single-crystal X-ray diffraction analysis. These complexes exhibited significant tyrosinase enzyme inhibition with IC₅₀ values in the range of 9.67 ± 0.17–21.88 ± 0.57 μM. The molecular docking results of the most active complex (<b>2</b>) correlate well with in vitro observations.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143121255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient Synthesis of Dihydropyrimidinones Using Advanced Ni (II)-Doped Zn-BDC Microcrystals: A Breakthrough in Catalytic Performance, Reusability, and Structural Integrity","authors":"Dara Muhammed Aziz,&nbsp;Othman Salih Othman","doi":"10.1002/aoc.70032","DOIUrl":"https://doi.org/10.1002/aoc.70032","url":null,"abstract":"<div>\u0000 \u0000 <p>Nickel (II) ions (Ni (II)) doped into the zinc-based metal–organic framework Zn-BDC have shown exceptional catalytic activity as heterogeneous catalysts for the three-component Biginelli condensation reaction, delivering yields ranging from 62% to 96% with excellent selectivity under diverse reaction conditions. The Ni doping was achieved through a facile solvothermal synthesis, producing Ni(x)-Zn-BDC catalysts, where x represents the weight percentage of Ni relative to Zn (e.g., Ni[10]-Zn-BDC). Comprehensive characterization of the synthesized catalysts was conducted using advanced spectroscopic and analytical techniques, confirming successful incorporation of Ni into the Zn-BDC framework without compromising its structural integrity. The Ni(10)-Zn-BDC catalyst, in particular, exhibited remarkable efficiency in facilitating the reaction under mild conditions. Furthermore, the catalyst demonstrated excellent recyclability and stability, maintaining consistent catalytic performance over multiple cycles. These findings highlight Ni(x)-Zn-BDC as a promising and sustainable material for the synthesis of dihydropyrimidinones, underscoring its potential in green and efficient catalytic processes.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 3","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143121227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Non-template Tailored Macrocyclic Complexes: Synthesis, Characterization, Biological and Computational Studies","authors":"Jai Kumar,&nbsp;Ramesh Kumar,&nbsp;Devender Singh,&nbsp;Harish Kumar,&nbsp;Arti Jangra,&nbsp;Praveen Kumar Gupta","doi":"10.1002/aoc.70022","DOIUrl":"https://doi.org/10.1002/aoc.70022","url":null,"abstract":"<div>\u0000 \u0000 <p>Some novel biologically active tetraaza-macrocyclic complexes of Fe (III) and Cr (III) were synthesized by non-template method. In this methodology, first macrocyclic ligand was synthesized by condensation reaction between triethylenetetramine and dimedone which was further reacted with trivalent Fe and Cr ions to synthesize the macrocyclic complexes having general formula [M(C₁₄H₂₆N₄)(X)](X)₂ where X represents Cl⁻, NO₃⁻, CH₃COO⁻. Various physiochemical studies suggested the square pyramidal geometry around the metal ion of all complexes. With the aid of PXRD technique, it was found that some of the complexes possessed monoclinic crystal system while other complexes showed to have orthorhombic crystal system. The DFT study was also carried out to examine the various quantum descriptors of ligand and its complexes. Moreover, newly synthesized macrocyclic ligand and its complexes with Fe and Cr ions were tested against fungal strain as well various bacterial strains. The results of antibacterial study showed that all complexes exhibited remarkable ability to inhibit the growth of microbes as compared to ligand. All complexes were found to have drug-likeness behavior as indicated by <i>in-silico</i> studies. Furthermore, these complexes were also tested for their antioxidant activity and it was observed that complexes showed better antioxidant activity as compared to ligand and standard solution of ascorbic acid.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 2","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143120699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unprecedented High Activity of One-Dimensional Nickel-Based Coordination Polymer for Ethylene Dimerization","authors":"Yao Ning,&nbsp;Changlian Li,&nbsp;Bo Zhao,&nbsp;Wenpeng Min,&nbsp;Xinyuan Li,&nbsp;Ying Zhang","doi":"10.1002/aoc.70019","DOIUrl":"https://doi.org/10.1002/aoc.70019","url":null,"abstract":"<div>\u0000 \u0000 <p>Three kinds of one-dimensional nickel-based coordination polymers (1D-S-Ni, 1D-D-Ni, and 1D-M-Ni) with different coordination environments and topological structures were synthesized and evacuated as heterogeneous catalysts for liquid phase slurry reaction of ethylene dimerization. Their crystal structures, morphology, chemical groups, and thermal properties were characterized by PXRD, SEM, FT-IR, TGA, ICP-AES, and EA, respectively. The catalytic performance of these catalysts was examined under various reaction conditions, including the amount of cocatalyst, reaction temperature, and reaction pressure. These catalysts showed high catalytic activity up to 10⁵–10⁶ g/(molNi·h) and high selectivity of butene (C4) over 78% at room temperature and 10 atm pressure. Especially the catalytic activity of 1D-D-Ni was up to 17.1 × 10⁵ g/(molNi·h), exceeding that of most Ni-based heterogeneous catalysts and reaching the level of nickel-based homogeneous catalysts. The stability and cyclic performance of 1D-D-Ni was also assessed. It was observed that the catalyst did not undergo decomposition during the reaction and maintained a high activity level of 12.0 × 10⁵ g/(molNi·h) even after three cycles. 1D-D-Ni has SBU similar to homogeneous nickel-based complex catalyst for ethylene dimerization, indicating that reasonable design of metal nodes is an effective way to synthesize heterogeneous ethylene dimerization catalysts with high catalytic performance.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 2","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143120633","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Substituent Effect on Cytotoxicity and Interaction Profile of DNA/BSA With Selected Terpyridine Derivatives of Ester/Ferrocene and Their Fe(III) and Ru(III) Complexes—A Comparative Analysis","authors":"Chayan Pandya,&nbsp;Himanshi Sharma,&nbsp;Rakesh R. Panicker,&nbsp;Snehasish Samal,&nbsp;Daphne Morrison Noble,&nbsp;N. Gokulprasanth,&nbsp;Joydip Mondal,&nbsp;Madhvesh Pathak,&nbsp;Akella Sivaramakrishna","doi":"10.1002/aoc.8001","DOIUrl":"https://doi.org/10.1002/aoc.8001","url":null,"abstract":"<div>\u0000 \u0000 <p>The present work demonstrates the synthesis of ester and ferrocene groups containing new terpyridine-based ligands (<b>FRL</b> and <b>RL</b>) and their selected meal complexes <b>FR-Fe</b>, <b>FR-Ru</b>, <b>RL-Fe</b>, and <b>RL-Ru</b>. Investigations on the influence of the ester and ferrocene groups on binding to DNA/BSA and anticancer activity were carried out. All these products were structurally characterized by using spectroscopic and analytical techniques. Notably, the molecular structures of both the ligands and the ester-based Fe(III) complex were confirmed by single-crystal X-ray diffraction analysis. Additionally, theoretical calculations were employed to further establish the structures of the synthesized ligands and their metal complexes, which were subsequently utilized for molecular docking studies to evaluate their binding potential. The docking results revealed the best binding orientation with the lowest possible binding energy of −10.20 kcal/mol for the <b>RL-Fe</b> complex with BSA and −8.30 kcal/mol for the <b>FR-Fe</b> complex with DNA. Furthermore, the binding interactions of all the synthesized compounds were investigated using UV–visible absorption (UV) and fluorescence spectroscopy (FL). The binding sites and binding constants were determined using the Stern-Volmer equation. Moreover, cytotoxicity assays were performed against lung cancer (A549), liver cancer (Hep G2), and normal Vero cell lines, with results benchmarked against cisplatin. Notably, the ligand (<b>FRL</b>) exhibited significant cytotoxic action with an IC₅₀ of 54.51 μM compared to the related Fe(III) complex (<b>FR-Fe</b>) (i.e., 69.86 μM) against A549 cells. But the complex <b>FR-Fe</b> displayed IC₅₀ of 56.19 μM against Hep G2 cells, demonstrating better potency over cisplatin.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 2","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cus@rGO Grafted PEDOT:PSS Paper-Based Electrochemical Biosensor for Sensitive Detection of Fenitrothion","authors":"Poornima Bohra,&nbsp; Priya,&nbsp; Sweety,&nbsp;Divya Hudda,&nbsp;Devendra Kumar","doi":"10.1002/aoc.70002","DOIUrl":"https://doi.org/10.1002/aoc.70002","url":null,"abstract":"<div>\u0000 \u0000 <p>This paper introduced an innovative paper-based biosensor outlined for the precise and rapid detection of fenitrothion pesticide. In this work, CuS@rGO grafted PEDOT:PSS-based conducting paper has been fabricated by simple dip coating method. Further, the CuS@rGO/PEDOT:PSS/WP electrodes were doped with multiple organic solvents such as methanol, ethylene glycol (EG), dimethyl sulfoxide (DMSO), <i>N</i>,<i>N</i>-dimethyl formamide (DMF), and <i>N</i>-methyl pyrrolidone (NMP) to enhance the electrochemical parameters. Among all these solvents, the electrode doped with DMSO is found to have the highest conductivity. Subsequently, AChE enzyme is immobilized onto the modified electrode to accelerate the particular recognition of fenitrothion using glutaraldehyde as a cross-linking agent. Electrochemical studies have shown that this conducting paper-based electrode possesses high sensitivity and low detection limit of 0.505 mA/pM and 0.28 pM, respectively, under a physiological range of 1–80 pM for fenitrothion (FNT) detection. This paper electrode may be a very promising alternative to ITO, gold and glassy carbon electrodes, which are known to have few uses because of their high cost, fragility, restricted flexibility, and environment concerns. The recommended biosensor's accuracy was well evaluated in two real samples like rice and tomato thereby increasing its suitability for FNT detection in real-world circumstances.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 2","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119537","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, Spectroscopic Characterization, Antimicrobial Investigation, Docking and Computational Studies of New Tin (IV) Schiff Base Complexes","authors":"Yasmin M. Ahmed,&nbsp;Sami A. Al-Hussain,&nbsp;Magdi E. A. Zaki,&nbsp;Gehad G. Mohamed","doi":"10.1002/aoc.7999","DOIUrl":"https://doi.org/10.1002/aoc.7999","url":null,"abstract":"<div>\u0000 \u0000 <p>Reaction of Organotin (IV) salts with tridentate Schiff bases (SBI and SBII) reacted in 1:1 M ratios where complexes (<b>1–6</b>) were afforded. Organotin (IV) complexes with the formula [Sn (CH₃)₂(SBI)ClH₂O]Cl <b>(1)</b>, [Sn(C₄H₉)₂(SBI)Cl₂]H₂O <b>(2)</b>, [Sn(C₆H₅)₄(SBI)] (<b>3),</b> [Sn (CH₃)₂(SBII)Cl₂]3H₂O <b>(4),</b> [Sn(C₄H₉)₂(SBII)Cl₂]2H₂O <b>(5)</b> and [Sn(C₆H₅)₄(SBII)]H₂O <b>(6)</b> (SBI = 2(E)-2-(((3-hydroxyphenyl)imino)methyl)phenol and SBII = (E)-2-(((3-aminophenyl)imino)-methyl)phenol were described. Every Tin (IV) complex (<b>1–6</b>) had a distinct color and was soluble in DMF and DMSO organic solvents. The complexes have all been thoroughly examined using mass spectrum analysis, FT-IR, UV–vis, ¹H-NMR, and CHN investigations. For both SBI and SBII, the Schiff bases chelated to the tin metal ion in a tridentate fashion through NOO and NNO atoms, including nitrogen atoms of the azomethine group. This was demonstrated by the spectroscopic data of the ligand and its related complexes (<b>1–6</b>). The tin atom was found to have pentagonal-bipyramidal geometry according to elemental analyses data coupled with electronic spectral data. The complexes were nonelectrolytes except Complex <b>1</b> is electrolyte. The complexes (<b>1–6</b>) thermal deterioration occurred between 200°C and 800°C, according to thermogravimetric analysis performed during thermal decomposition under nitrogen. The in vitro tests measured the efficacy of the Schiff base Tin (IV) complexes (<b>1–6</b>) to inhibit the growth of several types of bacteria and fungi. When compared to the Schiff bases ligand, it was shown that the complexes were more successful in killing bacteria and fungi organisms. In order to interpret the compounds' structure and reactivity, density functional calculations were done. Molecular docking by the protein locations of 2V5Z and 7KGW was utilized to evaluate possible medicines using MOE 2008. Without verifying results with MD simulations, the work was designed to explore molecular docking.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 2","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143118348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}