Applied Organometallic Chemistry最新文献

{"title":"Synthesis, Characterization, ADME, Molecular Docking, In Silico Structural and Mechanistic Studies and Biological Activities of Pt(IV) Complexes Based on Diamine Derivatives","authors":"Sattar R. Majeed,&nbsp;Mina A. Amin,&nbsp;Hasan Yavuz Goren,&nbsp;Burcu Dedeoglu,&nbsp;Fawzy A. Attaby,&nbsp;Ahmed A. Soliman","doi":"10.1002/aoc.70323","DOIUrl":"https://doi.org/10.1002/aoc.70323","url":null,"abstract":"<div>\u0000 \u0000 <p>Pt(IV) complexes based on diamine derivatives, 3,4-diaminobenzoic acid (DABA), and 4–chloro–o–phenylenediamine (CPDA) were prepared and investigated thermally, spectroscopically, and magnetically. Thermal investigations revealed that the octahedral complexes were thermally stable. DFT calculations confirmed that the calculated absorption and infrared data agreed with the experimental results. Hydrolysis and reduction mechanisms were also investigated computationally to assess the activation behavior of the complexes. Hydrolysis barriers indicated substantial kinetic inertness, while reduction via enolate β-carbon attack was found to be energetically accessible under physiological conditions. The potential cytotoxicity of the complexes was screened against HELA, PC3, and MCF7. [Pt (CPDA)(ox)Cl₂] showed activity against the HELA cancer cell line with IC₅₀ values of 14.9 μg/mL. The complexes also exhibited antibacterial activities against <i>Escherichia coli</i>, <i>Klebsiella pneumoniae</i>, and <i>Staphylococcus aureus</i>. The highest antibacterial activity was observed against <i>S. aureus</i>, with the complexes demonstrating performance comparable to that of the standard; [Pt (CPDA)Cl₄] exhibited an inhibition zone with diameters of 23.6 ± 0.6 mm. Docking studies were conducted against <i>E. coli</i> (PDB ID: 6F86) and <i>S. aureus</i> (PDB ID: 3q89). ADME investigations were carried out to study the absorption and metabolism properties of the Pt(IV) complexes.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144740548","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":"Bis(Biguanide)-Anchored Palladium on Covalent Organic Framework: Highly Stable and Recyclable Catalyst for Suzuki, Heck, and Sonogashira Reactions","authors":"Kai Gong,&nbsp;Daquan Zhang,&nbsp;Xiangxiang Yu,&nbsp;Guozhen Su,&nbsp;Jian Shen,&nbsp;Xiaodong Cheng,&nbsp;Aijie Liu","doi":"10.1002/aoc.70330","DOIUrl":"https://doi.org/10.1002/aoc.70330","url":null,"abstract":"<div>\u0000 \u0000 <p>The palladium-catalyzed cross-coupling reactions are promising methods for carbon–carbon bond formation. In recent decades, porous nanomaterials such as covalent organic frameworks (COFs) have been developed to address the challenges of homogenous catalysts, particularly rapid deactivation and recycling; however, achieving high catalyst loading with stable catalytic performance remains a significant challenge. In this study, we developed a nitrogen-enriched COF with large channels by using bis(biguanide) (DG) and triphenylbenzene (TPB) as building blocks. The bis(biguanide)s offer multiple binding sites, enabling high binding affinity, resulting in the uniform immobilization of Pd(II) with high loading to form Pd/DG-COF. The intersecting TPB structure provides a large pore size, allowing for improved mass transport for efficient catalysis. Additionally, the inherent physiochemical properties of DG and TPB result in potential cation-π interactions and π-π interactions with benzene-based substrates, which significantly accelerate the catalytic activity, resulting in a good catalytic performance, with turnover frequency (TOF) of approximately 5000 h⁻¹ and broad substrate applicability. Pd/DG-COF maintained stable performance and remarkable recyclability, with no significant loss of activity observed after 10 catalytic cycles. This work highlights the importance of rational COF skeleton design in developing robust catalytic systems and highlights the promising potential of Pd/DG-COF in the field of sustainable catalysis, with minimal loss of noble metal centers.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 9","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144740547","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":"Antimony(III) Derivatives Containing Heterocyclic- and N-Alkyl-N-Phenyl Dithiocarbamate Moeities Along With Computational Analysis, Antimicrobial and Anticancer Studies","authors":"Megha Mittal,&nbsp;Priyanka Sharma,&nbsp;Reena Sangwan,&nbsp;Seema Gaur,&nbsp;Jyoti Sharma","doi":"10.1002/aoc.70321","DOIUrl":"https://doi.org/10.1002/aoc.70321","url":null,"abstract":"<div>\u0000 \u0000 <p>Six heteroleptic antimony(III) dithiocarbamate complexes of the type [R″CS₂Sb{S₂CN(C₆H₅)R′}₂] [where R′ = –CH₃ R″ = 4-methylpiperazine (C-1); R′ = –C₂H₅ and R″ = 4-methylpiperazine (C-2); R′ = –CH₃ and R″ = 1,2,3,4-tetrahydroquinoline (C-3); R′ = –C₂H₅ and R″ = 1,2,3,4-tetrahydroquinoline (C-4); R′ = –CH₃ and R″ = 4-methylpiperidine(C-5); R′ = –C₂H₅ and R″ = 4-methylpiperidine (C-6)] were synthesised and characterised. Physicochemical and structural elucidations of the complexes were accomplished by elemental analyses, FT-IR, ¹H, ¹³C-NMR spectral studies, and mass spectrometry. The thermogravimetric (TGA) and differential thermal analysis (DTA) were investigated for a representative derivative C-4 in order to confirm the thermal resistivity and to get the Sb₂S₃ as the final product of the thermal decomposition. The theoretical study with density functional theory (DFT) has been utilised to optimise the structure of complexes C-1, C-3 and C-5 along with their corresponding ligand moieties for HOMO-LUMO energy calculations. Distorted octahedral geometry has been proposed on the basis of energy calculations of two expected optimised geometries. The spectral and computational data have revealed the anisobidentate mode of coordination in the complexes. All complexes displayed significant antibacterial activity against <i>S. aureus</i>, <i>E. coli</i> and antifungal activity against <i>A. niger</i> and <i>Fusarium</i> strains even at low concentrations. Notable anticancer activity against MCF-7 (human breast) and HCT-116 (colorectal) cancer cell lines with IC₅₀ values of 8.826 ± 0.26 μg/mL and 50.86 ± 0.10 μg/mL, respectively, for the representative complex C-1 has been observed and further revealed its biological potency for future drug discovery.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 8","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716980","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":"Atomically Precise Octanuclear Cu(II) Complex With [Ph2PO2]− for Chemodynamic Therapy","authors":"Di-Yu Yang,&nbsp;Qiong-Qiong Zhong,&nbsp;Cheng-Fei Chen,&nbsp;Di Yao,&nbsp;Hai-Ye Li,&nbsp;Fu-Ping Huang","doi":"10.1002/aoc.70332","DOIUrl":"https://doi.org/10.1002/aoc.70332","url":null,"abstract":"<div>\u0000 \u0000 <p>In recent research, an atomically precise Cu(II) complex (Cu8) consisting of eight copper atoms has been successfully synthesized. This complex exhibits a unique capability to catalyze a Fenton-like reaction within the tumor microenvironment (TME), which is characterized by overexpressed hydrogen peroxide. The Cu(II) complex Cu8 exploits this condition to generate highly cytotoxic hydroxyl radicals. These radicals are extremely effective in inducing programmed cell death or apoptosis in HeLa cells, a type of cervical cancer cell, and additionally cause significant damage to the mitochondria (the powerhouses of the cell). Due to these properties, the complex functions as a potent chemodynamic therapy (CDT) agent, demonstrating promising antitumor potential. The precise coordination of the [Ph₂PO₂]⁻ ligand within the complex is critical to its effectiveness in catalyzing the Fenton-like reaction, thereby enabling its therapeutic application in chemodynamic therapy.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 8","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716982","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":"Highly Active Co2+ Species Constructed in CuCoFe Metahydrotacite-B Realize the Efficient Oxidative Cleavage of Vicinal Diols Without Any Additives","authors":"Jiapeng Su,&nbsp;Yue Xiao,&nbsp;Sifan Zhang,&nbsp;Anwei Wang,&nbsp;Weiyou Zhou,&nbsp;Xuan Dai,&nbsp;Mingyang He","doi":"10.1002/aoc.70338","DOIUrl":"https://doi.org/10.1002/aoc.70338","url":null,"abstract":"<div>\u0000 \u0000 <p>A highly efficient catalytic system for the aerobic oxidative cleavage of vicinal diols has been developed based on CuCoFe metahydrotacite-B, without the requirement of any additives. The electron density of the Co²⁺ sites is increased in the presence of Cu and Fe species, which can enhance the activity of the key intermediates Co³⁺OO·. The appropriate surface acidity and basicity of the catalyst based on the metahydrotacite-B phase effectively improve selectivity. The reaction system can tolerate various vicinal diols, and a distinctive reaction path has been proposed.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 8","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716979","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":"Cytotoxic Effect of Zinc Oxide and Selenium Nanoparticles Synthesized From Orobanche picridis on Lung Cancer as Well as Their Antimicrobial and Antioxidant Properties","authors":"Leyla Ercan,&nbsp;Cemile Günbegi Çalişkan","doi":"10.1002/aoc.70329","DOIUrl":"https://doi.org/10.1002/aoc.70329","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Orobanche picridis</i> represents a fascinating example of an obligate parasitic plant due to its lack of chlorophyll. It is of significant interest to botanists, ecologists, and biologists because of its complex parasitic lifestyle and specific host preferences. The purpose of this work was to generate zinc oxide (OrZnO) nanoparticles (NPs) and selenium (OrSe) nanoparticles from <i>O. picridis</i> and examine their characterization as well as their antibacterial, anticarcinogenic, and antioxidant characteristics. To this purpose, the produced NPs were characterized utilizing a scanning electron microscope, energy-dispersive X-ray spectroscopy, X-ray diffraction, and Fourier-transform infrared spectroscopy. The antimicrobial activity of OrZnO and OrSe NPs was assessed employing the disc diffusion and agar well diffusion methods, while in vitro antioxidant activity was assessed through three different assays: DPPH, FRAP, and ABTS. The MTT assay was utilized to ascertain the cytotoxicity of these nanoparticles against lung cancer, and acridine orange/ethidium bromide staining was carried out to analyze morphological and DNA alterations in these cells. Consequently, the synthesized OrZnO NPs exhibited stronger antibacterial capabilities than the OrSe NPs, while both demonstrated antioxidant properties. In addition to their potent cytotoxic action, both NPs induced apoptosis by altering the DNA and shape of the lung cancer (A549) cells.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 8","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716981","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":"Eco-Friendly Nanocellulose-Based Fluorometric Sensor for Ultra-Sensitive Detection and Removal of Mercury Ions From Water","authors":"Mohammed T. Alotaibi,&nbsp;W. Abd El-Fattah,&nbsp;Ahmad A. Alluhaybi,&nbsp;Abdu Subaihi,&nbsp;Reda F. M. Elshaarawy,&nbsp;Ahmed Shahat","doi":"10.1002/aoc.70331","DOIUrl":"https://doi.org/10.1002/aoc.70331","url":null,"abstract":"<div>\u0000 \u0000 <p>A novel solid-state fluorometric sensor based on wastepaper-derived nanocellulose (NC) functionalized with 4-hydroxy-3-(((2-mercaptophenyl)imino)methyl)benzyl)triphenylphosphonium hexafluorophosphate (TPPAT) was developed for the ultra-sensitive detection and simultaneous removal of Hg²⁺ ions from water. The NC-TPPAT composite exhibits a linear detection range of 0–50 μM and a limit of detection (LOD) of 4.11 × 10⁻⁸ M with the fluorescence technique and 3.31 × 10⁻⁸ M with UV–Vis technique. Rapid fluorescence response kinetics achieve signal equilibration within 100 s under optimized conditions (pH 4.5, 25 °C, 30 mg sensor dose). In parallel, batch adsorption studies revealed a Langmuir monolayer capacity of <i>q</i>_max = 225.6 mg g⁻¹ and pseudo-second-order kinetics (R² = 0.996), with equilibrium reached at 60 min (pH 5.3, 25 °C). Selectivity assays demonstrated negligible interference (&lt; 5% signal deviation) from competing metal ions, including Cu²⁺ ions. The sensor maintains &gt; 90% performance over five reuse cycles. This integrated NC-TPPAT platform combines eco-friendly material design, high sensitivity, and efficient Hg²⁺ ions removal, achieving a remarkable removal efficiency of up to 97.42%, offering a practical approach for real-time environmental monitoring and water purification.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 8","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144716978","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":"Gallium Oxide Nanoparticles With Controllable Morphologies as Effective Photocatalytic Antimicrobial Agents","authors":"Yimei Wang,&nbsp;Xuechao Shi,&nbsp;Shuxian Hou,&nbsp;Guoqiang Yang,&nbsp;Xinxin Liu,&nbsp;Weiwei Zhang,&nbsp;Wanzhen Li,&nbsp;Ping Song,&nbsp;Longbao Zhu,&nbsp;Chaldi Kaoutar,&nbsp;Lin Gui,&nbsp;Jun Wang,&nbsp;Fei Ge","doi":"10.1002/aoc.70305","DOIUrl":"https://doi.org/10.1002/aoc.70305","url":null,"abstract":"<div>\u0000 \u0000 <p>Antibiotic abuse has led to the emergence of drug-resistant bacteria, which have become the leading cause of death worldwide. Therefore, the search for effective antimicrobial reagents has become particularly important. In this study, gallium oxide nanoparticles (Ga₂O₃ NPs) with controllable morphologies were successfully synthesized using a high-temperature thermal decomposition method. The synthesized Ga₂O₃ NPs with different modifications exhibited good biocompatibility and photocatalytic antimicrobial activity. Notably, small-sized spherical Ga₂O₃ NPs exhibited the best photocatalytic antibacterial properties, achieving over 99% bacterial inhibition at a 200 μg/mL concentration. Moreover, the antimicrobial mechanism of Ga₂O₃ nanoparticles has been systematically studied. Ga₂O₃ nanoparticles with a positive charge have strong absorption with bacteria, and they can impede biofilm formation, disrupt the bacterial cell membrane, induce nucleic acid leakage, and provoke an elevation in reactive oxygen species (ROS) under a xenon lamp light. The antibacterial process was related to protein binding, RNA degradation, and biofilm formation pathways. Ga₂O₃ NPs combined with PCAT were first used as an effective antibacterial method, overcoming the low catalytic efficiency of traditional photocatalysts under visible light and demonstrating broader application potential, which will provide an essential reference for developing novel photocatalytic antimicrobial agents.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 8","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144714673","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, DFT Studies, and Molecular Docking Analysis of a Novel Acylpyrazolone Schiff Base and Its Metal(II) Complexes","authors":"Nkechinyere N. Ukwueze,&nbsp;Jeanet Conradie,&nbsp;Marrigje M. Conradie,&nbsp;Cosmas C. Eze,&nbsp;Uchechukwu S. Oruma,&nbsp;Sunday N. Okafor,&nbsp;Pius O. Ukoha,&nbsp;Nnamdi L. Obasi,&nbsp;Necmi Dege,&nbsp;Oguejiofo T. Ujam,&nbsp;Chigozie J. Ezeorah","doi":"10.1002/aoc.70333","DOIUrl":"https://doi.org/10.1002/aoc.70333","url":null,"abstract":"<p>Novel Schiff base ligand 1,5-dimethyl-4-((1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)butyl)amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one was synthesized by the condensation reaction between 4-acylpyrazol-5-one and 4-aminoantipyrine. Ni(II), Cu(II), Co(II), or Zn(II) complexes were synthesized by reactions of the ligand with respective metal chlorides. The ligand and complexes were characterized by conventional spectroscopic techniques: UV–Visible, FTIR, mass spec, ¹H and ¹³C NMR, and single-crystal XRD analysis. The crystal system and space group of the ligand are monoclinic and <i>P21/c</i>, respectively. Computational studies (DFT and molecular docking) were employed to supplement the experimental findings and predict possible applications of the novel Schiff base. DFT studies indicate that two ligands each coordinate to the metal(II) center in a bidentate manner, resulting in a pseudo-tetrahedral geometry. The Schiff base ligand exhibited tautomerism where the amine-one was more stable than the imine-ol. Molecular docking studies indicate that the Ni(II) complex showed a significant binding affinity and the best binding interaction with the <i>Mycobacterium tuberculosis</i> enoyl acyl carrier protein reductase (ENR) target enzyme. This suggests that binding to these specific proteins might lead to the mechanism of action of the evaluated antibacterial property.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 8","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aoc.70333","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144714676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tosylate as a Counter Ion in a Tetra-Aza Macrocycle Complexed by Fe(II) and Co(II) Ions: Spectroscopic Characterization and Modelling by DFT Calculation","authors":"Chaima Hassouna,&nbsp;Soumaya Agren,&nbsp;Maryem Ben Khalifa,&nbsp;Jamal El Haskouri,&nbsp;Rafik Ben Chaabane,&nbsp;Mohamed Hassen V. Baouab","doi":"10.1002/aoc.70325","DOIUrl":"https://doi.org/10.1002/aoc.70325","url":null,"abstract":"<div>\u0000 \u0000 <p>Herein, we detail the design of a novel tetra-aza macrocyclic Schiff base ligand (A) and its corresponding iron (B, C) and cobalt (D, E) complexes, where chloride (B, D) and tosylate (C, E) counter ions were introduced via streamlined synthetic routes. Comprehensive structural, thermal, and optical characterization revealed the profound influence of metal coordination and counterion substitution on material properties. FTIR and 1H NMR spectra confirmed successful synthesis, while XRD analysis demonstrated enhanced crystallinity in tosylate derivatives (C, D). TGA/DSC studies indicated superior thermal stability in tosylate-substituted complexes (C, E). Theoretical validation via TD-DFT simulations corroborated the structures of (C) and (E), with excellent agreement between experimental and simulated absorption spectra and frontier molecular orbitals (FMOs). MEP analysis further localized nucleophilic density around the metal-nitrogen core due to strong electron withdrawal, while electrophilic regions concentrated on the aromatic rings. Electrochemical data proved that the cobalt–tosylate complex (E) emerged as the most electroactive and reversible species, underscoring its potential utility in redox-active applications.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 8","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144714674","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}