Inorganica Chimica Acta最新文献

{"title":"Crystal Structure, spectroscopic investigations (FT-IR, UV/Vis), and DFT/QTAIM/NCI Computations of a novel (η2-hydrogencarbonato) Six-coordinate high-spin Iron(II) picket fence porphyrin complex","authors":"Mondher Dhifet ,&nbsp;Bouzid Gassoumi ,&nbsp;Jean-Claude Daran ,&nbsp;Noureddine Issaoui ,&nbsp;Habib Nasri","doi":"10.1016/j.ica.2024.122507","DOIUrl":"10.1016/j.ica.2024.122507","url":null,"abstract":"<div><div>In this work we have prepared the novel (η²-hydrogencarbonato) high-spin (S = 2) iron(II) picket fence porphyrin ([Fe^II(TpivPP)(η²-HCO₃)]⁻ ion complex (complex <strong>I</strong>) which was characterized by UV/Vis and IR spectroscopy and single crystal X-ray diffraction molecular structure. These techniques show that the HCO₃⁻ axial ligand is coordinated to the Fe²⁺ metal ion in a bidentate mode and that complex <strong>I</strong> is high-spin (S = 2). Density functional theory (DFT) calculations were performed on complex <strong>I</strong> using the DFT/B3LYP/LanL2DZ level of theory to study the HOMO-LUMO shapes and energy, Molecular Electrostatic Potential (MEP) as well as several other global chemical reactivity descriptors in order to evaluate the reactivity of our ferrous η²-hydrogencarbonato porphyrin coordination complex. Furthermore, Quantum Theory of Atoms in Molecules (QTAIM) and Non-Covalent Interaction (NCI) analyses have been performed to study the non-covalent interactions in the crystal lattice of complex <strong>I</strong>.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122507"},"PeriodicalIF":2.7,"publicationDate":"2024-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138365","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":"Novel bis-carbacylamidophosphate and its complexes of rare earth elements","authors":"V. Sachok ,&nbsp;N. Kariaka ,&nbsp;V. Trush ,&nbsp;O. Horniichuk ,&nbsp;O. Korovin ,&nbsp;N. Rusakova ,&nbsp;V. Dyakonenko ,&nbsp;S. Shishkina ,&nbsp;M. Lazarenko ,&nbsp;V. Amirkhanov","doi":"10.1016/j.ica.2024.122515","DOIUrl":"10.1016/j.ica.2024.122515","url":null,"abstract":"<div><div>Considering the unfading interest in lanthanide-based luminescent materials the novel bis-chelating ligand tetramethyl(1,3-phenylenedicarbonyl)<em>-bis-</em>amidophosphate (<strong>H₂L</strong>) was synthesized. Its coordination ability towards the rare earth elements and the effectivity of sensitization of their luminescence were investigated. X-ray analysis of <strong>H₂L</strong> points on its chain- like structure created by means of hydrogen bonds N<img>H···O<img>P. The two series of binuclear complexes of rare earth elements Ln₂L₃(H₂O)₂·2H₂O (<strong>Ln1</strong>) and Ln₂L₃bipy₂·2H₂O (<strong>Ln2</strong>), where Ln <strong>=</strong> Eu, Tb, Dy, Y and bipy = 2,2′-bipyridine, were obtained and characterized using elemental and thermal gravimetric analysis, IR, NMR, UV absorption spectroscopy at room temperature and luminescence spectroscopy at 298 and 77 <!--> <!-->K. The ligand absorbs in the UV region and effectively sensitizes the emission of Eu^III, Tb^III, and Dy^III ions. The complexes of dysprosium emit in visible and NIR regions despite the presence of water molecules in the complexes compositions as well as despite that the enegry gaps between the ligands’ lowest triplet state and the emissive levels of Dy^III are within the range for back energy transfer. The europium and terbium complexes possess bright respectively red and green luminescence with an emission lifetime at room temperature in the range of 1.13–2.60 ms.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122515"},"PeriodicalIF":2.7,"publicationDate":"2024-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138214","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":"Bimetallic copper complexes of a new amide-based heptadentate N6O ligand: Design, syntheses, structures, and spectroscopic characterization","authors":"Ashley E. Hall ,&nbsp;Kraig A. Wheeler ,&nbsp;Radu F. Semeniuc","doi":"10.1016/j.ica.2024.122514","DOIUrl":"10.1016/j.ica.2024.122514","url":null,"abstract":"<div><div>A new dicompartmental N₆O heptadentate ligand has been prepared by linking two bis(pyrazolyl)methane donor groups to a phenol core <em>via</em> amide bridges attached to the 2 and 6 positions of the arene ring. The ligand Bu<em>^t</em>-Ph(OH)–[NH–C(O)–CH(pz)₂]₂ (<strong>H₃L</strong>, pz = pyrazolyl ring) forms the neutral complexes {Bu<em>^t</em>-Ph(O)–[N–C(O)–CH(pz)₂]₂}[Cu₂(μ-O₂C–CH₃)] (<strong>1</strong>), and {Bu<em>^t</em>-Ph(O)-[N–C(O)–CH(pz)₂]₂}{Cu₂[μ-O₂C–CH(NI)–CH(CH₃)(CH₂CH₃)]} (<strong>2,</strong> NI = 1,8-Naphthalimide). These compounds were characterized by ¹H NMR, IR, and UV–Vis spectroscopies, as well as single crystal X-ray diffraction. Their common structural features consist of a triply deprotonated [<strong>L]</strong>^3- ligand, bridging two copper(II) ions through the phenoxido oxygen atom. The neutrality of the complexes is ensured by the exogenous <img>C(O)O⁻ bridges. As a consequence, the distances between the Cu²⁺ ··· Cu²⁺ ions were found to be about 3.5 Å in both cases. Each copper center is also coordinated by three nitrogen atoms, originating from the deprotonated amide group and the two pyrazolyl rings of the side-arms of the ligand. As such, the geometry around the copper ions can be described as a distorted square pyramid.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122514"},"PeriodicalIF":2.7,"publicationDate":"2024-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138367","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":"Binuclear Fe(II) and Cu(II) complexes with 2-(pyridin-2-yl)-1H-benzimidazole and 4,4′-bipyridine: Synthesis, characterization, DFT insights, broad-spectrum bioactivity and docking study","authors":"Mai M. Khalaf ,&nbsp;Hany M. Abd El-Lateef ,&nbsp;Amro Ahmed Taha ,&nbsp;Aly Abdou","doi":"10.1016/j.ica.2024.122505","DOIUrl":"10.1016/j.ica.2024.122505","url":null,"abstract":"<div><div>This study presents the synthesis, structural characterization, theoretical analysis, and biological assessment of two novel binuclear complexes: FeBBNZBIPY and CuBBNZBIPY. These complexes were synthesized from 2-(pyridin-2-yl)-1H-benzimidazole (BBNZ) and 4,4′-bipyridine (BIPY). FT-IR analysis confirmed the bidentate coordination mode of BBNZ and BIPY, while molar conductivity measurements indicated the non-electrolytic nature of both complexes. Structural determination identified FeBBNZBIPY as [Fe₂ (BBNZ)₂(BIPY)(Cl)₆] and CuBBNZBIPY as [Cu₂(BBNZ)₂(BIPY)(Cl)₄(H₂O)₂], both displaying octahedral geometries as verified by spectroscopic analysis. Density functional theory (DFT) calculations provided insights into their electronic properties. Biological assays revealed enhanced anti-inflammatory, antifungal, antibacterial, and antioxidant activities, with CuBBNZBIPY demonstrating superior anti-inflammatory and antioxidant efficacy, showing IC₅₀ values of 90.13 and 72.61 µM, respectively. Molecular docking studies further highlighted specific protein interactions, with CuBBNZBIPY exhibiting high binding energies of −8.71, −8.79, −8.92, and −8.92 kcal/mol against targets 5iq9, 6CLV, 5IJT, and 5IKT, respectively, underscoring the therapeutic potential of these complexes across various biomedical applications.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122505"},"PeriodicalIF":2.7,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138953","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, crystal structure, evaluation of biological activity and docking study of a novel Schiff base complex bis(2-{[(2-methylpropyl)imino]methyl}phenolato) zinc (II)","authors":"S. Sindhu ,&nbsp;Fateh V. Singh ,&nbsp;R. Selva Kumar ,&nbsp;S. Arockiasamy","doi":"10.1016/j.ica.2024.122502","DOIUrl":"10.1016/j.ica.2024.122502","url":null,"abstract":"<div><div>Even at low concentrations, several transition metal-based drugs can be harmful to the body, causing consequences such as nephrotoxicity, myelosuppression, and neurotoxicity. Zinc (II) complexes in general exert low toxicity and fewer side effects when compared to other metal-based drugs. A new Schiff base complex, bis(2-{[(2-methylpropyl)imino]methyl}phenolato) Zinc (II), was synthesised by a one-pot synthesis method using 2-hydroxybenzaldehyde, isobutylamine, and zinc acetate. It was subjected to elemental analysis and spectral characterisation such as UV–vis, FTIR, and ¹H, ¹³C NMR. The monomeric mass (<em>m</em>/<em>z</em> = 417 g/mole) in the solid state was measured by mass spectrometry (MS). The complex was thermally stable, resulting in a nil residue at 340 °C in a single-step decomposition. It was found to show a sharp melting at 206 ± 2 °C. The single crystal X-ray diffraction (XRD) study revealed a<!--> <!-->tetragonal crystal system with distorted tetrahedral geometry. Hirshfeld surface analysis (HAS) showed the H⋯H, interatomic contact is the largest contributor to crystal packing with 68.7 % with other interactions such as C⋯H (22.2 %), and O⋯H (8.2 %). The zinc complex showed good antibacterial activity with the zone depth (mm) and minimum inhibitory concentration (µg/mL) for the bacterial strains <em>Escherichia coli</em> (20; 300)<em>, Pseudomonas aeruginosa</em> (22; 400)<em>, Staphylococcus aureus</em> (21; 400) <em>and Bacillus cereus</em> (23; 400). The zone depth (mm) and MIC (µg/mL) for antifungal activity were <em>Candida albicans</em> (19; 300)<em>, Aspergillus niger</em> (20; 400)<em>, Aspergillus flavus</em> (22; 400)<em>, and Candida tropicalis</em> (21; 400). The IC₅₀ values for MCF7 and A549 were found to be 37.6 and 33.2 μg/mL respectively. The docking study showed a higher binding affinity of −9.15 kcal/mol for the species <em>S. aureus</em> (PDB:2W9H).</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122502"},"PeriodicalIF":2.7,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138219","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, crystal structures and anticancer studies of Ni (Ⅱ) and Co (III) complexes based on 2-(2-aminophenyl)-1H-benzimidazole Schiff base derivatives","authors":"Hou Cong Li ,&nbsp;Ye Fan Zheng ,&nbsp;Ming Zhu Wang ,&nbsp;Chen Chen Geng ,&nbsp;Min Hou ,&nbsp;Chang Qing Liu ,&nbsp;Wen Ge Li","doi":"10.1016/j.ica.2024.122506","DOIUrl":"10.1016/j.ica.2024.122506","url":null,"abstract":"<div><div>Two new ligands, 2-(5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazolin-6-yl)phenol (H₂L1′) and 2-(5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazolin-6-yl)-4-fluorophenol (H₂L2′) were synthesized by 2-(2-aminophenyl)benzimidazole with salicylaldehyde and 5-fluorosalicylaldehyde, respectively. While the two ligands (H₂L1′ and H₂L2′) were coordinated with nickel (II) and cobalt (II) ions and represented open-chain Schiff base structures (H₂L1 and H₂L2). Their metal complexes: [Ni₂ (HL1)₂ (C₂H₅OH)₂ Cl₂]‧2C₂H₅OH (complex 1), [Co (HL1) (L1)] (complex 2), [Ni₂ (HL2)₂ (C₂H₅OH)₂ Cl₂]‧2C₂H₅OH (complex 3) and [Co (HL2) (L2)] (complex 4) were obtained by solvothermal reaction. The four Schiff base complexes were characterized by infrared spectroscopy, elemental analysis, thermal stability analysis, X-ray powder diffraction, single-crystal X-ray diffraction, and lipophilicity assay. Single crystal X-ray analysis reveals that complexes 1 and 3 crystallize in a monoclinic system with space group <em>P</em>21/n, while complexes 2 and 4 crystallize in a trigonal system with space group <em>R</em>-3. The lipophilicity assay (Log P) showed that the introduction of fluorine atoms enhanced the lipophilicity of ligands and complexes. The MTT method was used to determine the IC₅₀ values of complexes, ligands, and cisplatin against four different tumor cells (A-549, SMMC-7721, MDA-MB-231, and CNE-2Z) and one normal cell (IOSE 80). The results indicated that the four complexes exhibited stronger anticancer efficacy than ligands, among which the fluorine-substituted Co (III) complex (complex 4) displayed greater cytotoxicity compared with cisplatin in inhibiting SMMC-7721, MDA-MB-231 cells and A-549 cells, respectively. In addition, complex 4 can increase intracellular reactive oxygen species levels, arrest cells in the G0/G1 phase, upregulate Bax levels, and downregulate Bcl-2 levels, inducing MDA-MB-231 cell apoptosis in a dose-dependent manner.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122506"},"PeriodicalIF":2.7,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138364","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":"Solvent-induced metal-organic framework for enhanced CO2/CH4 separation: Synthesis, characterization, and mechanism analysis","authors":"Hong-bo Yuan ,&nbsp;Li-jiao Chen ,&nbsp;Yong-ning Yang ,&nbsp;Bao Li","doi":"10.1016/j.ica.2024.122508","DOIUrl":"10.1016/j.ica.2024.122508","url":null,"abstract":"<div><div>The purification of CH₄ and CO₂ underscores the critical need. Copper-based Metal-Organic Frameworks (MOFs) present a promising alternative for gas separation. In this work, we developed a novel Cu-MOF with increased open metal sites to enhance CO₂ adsorption by utilizing N-Methyl-2-pyrrolidone (NMP) as a structure-directing solvent. Cu-MOF possesses a three-dimensional (3D) open framework, incorporating a one-dimensional channel structure with dimensions of 10.2 × 9.7 Å. Characterized by a specific surface area of 151.3 m²/g, optimized pore structure, and open metal sites, Cu-MOF has demonstrated superior CO₂ adsorption capabilities and potential for application in CO₂/CH₄ gas separation. Density Functional Theory (DFT) calculations have elucidated that the copper open sites, monodentate coordinated carboxylates, and coordinated water molecules within Cu-MOF are the primary sites for CO₂ adsorption.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122508"},"PeriodicalIF":2.7,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138362","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 positional isomeric homoleptic Ni(II) dithiolate anions as molecular homogeneous electrocatalysts for hydrogen evolution reaction","authors":"Madhav Raj Jayswal ,&nbsp;Devyani Srivastava ,&nbsp;Daniel Omoding ,&nbsp;Sarfaraz Ahmed ,&nbsp;Abhinav Kumar","doi":"10.1016/j.ica.2024.122513","DOIUrl":"10.1016/j.ica.2024.122513","url":null,"abstract":"<div><div>Three new Ni(II) based positional isomeric homoleptic dithiolate complex anions with general formula [Et₄N]₂[NiL₂] (L = 2-methoxyphenylacetonitriledithiolate (<strong>Ni-<em>o</em>-OMe</strong>); 3-methoxyphenylacetonitriledithiolate (<strong>Ni-<em>m</em>-OMe</strong>) and 4-methoxyphenylacetonitriledithiolate (<strong>Ni-<em>p</em>-OMe</strong>) have been synthesized and characterized by microanalysis and spectroscopic techniques such as FT-IR, UV–Vis., ¹H, and ¹³C NMR. The geometry optimization of these complex anions suggest that, the immediate geometry around Ni(II) is distorted square planar which is satisfied by four sulfur centers of two dinegative dithiolate anions. These complex anions have been used as homogeneous electrocatalysts for hydrogen evolution reactions using trifluoroacetic acid (TFA) as a proton source. The electrocatalysis investigation reveals that <strong>Ni-<em>o</em>-OMe, Ni-<em>m</em></strong><strong><em>-</em></strong><strong>OMe</strong> and <strong>Ni-<em>p</em>-OMe</strong> exhibited a turnover frequency (TOF) of 199, 242 and 450 s⁻¹, with overpotentials (η) of 0.799, 0.763 and 0.710 V, respectively, on adding 115 mM TFA. Thus, <strong>Ni-<em>p</em>-OMe</strong> with the highest TOF and least η, shows the best electrocatalytic activity. The observed variation in electrocatalytic properties of these isomeric complex anions have been explained by employing theoretical studies which reveals that, <strong>Ni-<em>p</em>-OMe</strong> possess a larger HOMO-LUMO energy gap compared to other isomeric complexes. This suggests that it is relatively more<!--> <!-->stable and hence offers better electrocatalytic properties than other two isomers. Furthermore, the planar architecture of <strong>Ni-<em>p</em>-OMe</strong> and existence of <em>p</em>-OMe group could have easily facilitated better electron communication, thereby elevating its electrocatalytic performance.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122513"},"PeriodicalIF":2.7,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138363","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":"Chemical preparation, thermal behavior, magnetic properties and biological activities of a new manganese chloride templated by piperazine (C4H12N2)[MnCl4(H2O)2]","authors":"Ines Kadri ,&nbsp;Amal Ben Hassena ,&nbsp;Fatma Aouaini ,&nbsp;Beriham Basha ,&nbsp;Hajir Wahbi ,&nbsp;Fatma Saadi ,&nbsp;Wesam Abd El-Fattah ,&nbsp;Antonio Sánchez-Coronilla ,&nbsp;Walid Rekik ,&nbsp;Houcine Naïli","doi":"10.1016/j.ica.2024.122509","DOIUrl":"10.1016/j.ica.2024.122509","url":null,"abstract":"<div><div>In this work, we study a new manganese chloride templated by piperazine with the general formula (C₄H₁₂N₂)[MCl₄(H₂O)₂] that exhibits interesting properties and biological activities. The crystalline structure of (C₄H₁₂N₂)[MnCl₄(H₂O)₂] consists of anionic and cationic entities bound together by hydrogen bonds. The anionic part of this complex is formed by the diaquatetrachloromanganate(II) octahedra [MnCl₄(H₂O)₂]²⁻, while the cationic part is composed of an organic component (protonated piperazine (C₄H₁₂N₂)²⁺). The thermal behavior of (C₄H₁₂N₂)[MnCl₄(H₂O)₂] was studied by TGA (thermogravimetric analysis) between 50 and 860 °C under flowing air and by DSC (differential scanning calorimetry) in the temperature range of 25–400 °C, with a heating rate of 10 °C min⁻¹. The title compound decomposes in three steps leading to the formation of manganese oxides, Mn₂O₃ and Mn₃O₄. The magnetic measurements indicate that (C₄H₁₂N₂)[MnCl₄(H₂O)₂] is predominantly paramagnetic with weak antiferromagnetic interactions between the Mn²⁺ centers, which presents five single electrons and adopts the high spin state. Regarding its biological activities, (C₄H₁₂N₂)[MnCl₄(H₂O)₂] exhibited a significant antioxidant capacity as measured by the DPPH assay. Additionally, in response to the urgent need for new antimicrobial drugs due to growing antibiotic resistance, the title compound was further evaluated for its antibacterial activity through the well diffusion test followed by the microdilution method. Bacterial growth inhibition and MBC/MIC determinations demonstrated the efficacy of (C₄H₁₂N₂)[MnCl₄(H₂O)₂] in killing various pathogenic bacteria<em>.</em> These findings highlight the significant biological activities of the compound, particularly its potential capacity to combat resistant bacteria.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122509"},"PeriodicalIF":2.7,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The green and efficient formation of the commercial cyclic carbonates from CO2 and epoxides promoted by metal-free quaternary phosphonium-boron catalysts and DMAP","authors":"Eyyup Yasar ,&nbsp;Emine Aytar ,&nbsp;Ahmet Kilic","doi":"10.1016/j.ica.2024.122503","DOIUrl":"10.1016/j.ica.2024.122503","url":null,"abstract":"<div><div>From the perspective of green chemistry and achieving net zero emissions, converting CO₂ into cyclic carbonates is one of the important strategies for CO₂ fixation in applied chemistry and industrial sectors. In this context, the novel metal-free phosphonium-boron catalysts <strong>(PBC₁–PBC₈)</strong> were synthesized and various spectroscopic tools such as ¹H, ¹³C, and ¹¹B NMR, FT-IR, UV–Vis, LC-MS/MS, elemental analysis, TGA-DTA together melting point measurement were utilized for structural characterization. The Lewis acidity of the metal-free boron-based catalysts <strong>(PBC₁–PBC₈)</strong> was determined using the Gutmann–Beckett method and resonances were obtained in the range of 51.11–50.18 ppm, respectively. Followed by, novel metal-free phosphonium-boron compounds were used for the coupling reaction of CO₂ with different epoxides to obtain target cyclic carbonates under atmospheric and high-pressure conditions (1 atm or 1.6 MPa, 100 °C, 2 h) for carbon neutrality and an alternative to the toxic and expensive phosgene gas. The binary catalytic system of metal-free phosphonium-boron catalyst <strong>(PBC₈)/</strong>DMAP presented high catalytic activity in solvent-free conditions at 100 °C, 1 atm (53.1 % yield and 97.4 % selectivity) and 1.6 MPa (95.4 % yield with 98.0 % selectivity) and 2 h with using epichlorohydrin (ECH). Furthermore, the effects of the amount of used catalyst on the catalytic conversion were examined and it was determined that the optimum <strong>(PBC₈)</strong>/ECH ratio for CO₂ coupling reactions was 1/1000.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122503"},"PeriodicalIF":2.7,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138361","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}