Inorganica Chimica Acta最新文献

{"title":"Versatile CoII and NiII mononuclear complexes with furoate/thiophencarboxylate anions and 3,5-dimethylpyrazole– Synthesis, structure, magnetic, catalytic and antimycobacterial properties","authors":"Marina A. Uvarova ,&nbsp;Fedor M. Dolgushin ,&nbsp;Konstantin A. Babeshkin ,&nbsp;Nikolay N. Efimov ,&nbsp;Natalia V. Gogoleva ,&nbsp;Denis N. Nebykov ,&nbsp;Anastasia V. Lagutina ,&nbsp;Alexandr O. Panov ,&nbsp;Vladimir M. Mokhov ,&nbsp;Olga B. Bekker ,&nbsp;Konstantin O. Titov ,&nbsp;Irina A. Lutsenko ,&nbsp;Igor L. Eremenko","doi":"10.1016/j.ica.2024.122445","DOIUrl":"10.1016/j.ica.2024.122445","url":null,"abstract":"<div><div>Series of complexes of the composition [M(L)₂(Hdmpz)_n] (L = fur, M = Co^II, n = 2 (<strong>1</strong>), n = 4 (<strong>2</strong>), M = Ni^II, n = 2 (<strong>3</strong>), L = tph, M = Co^II, n = 2 (<strong>4</strong>), M = Ni^II, n = 2 (<strong>5</strong>), n = 4 (<strong>6</strong>)) has been obtained by interaction of cobalt^II and nickel^II acetates with 3-furancarboxylic (Hfur) or 2-thiophencarboxylic (Htph) acids, followed by the addition of 3,5-dimethylpyrazole (Hdmpz). According to the X-ray data in complex <strong>1</strong>–<strong>6</strong>, metal atoms are surrounded by carboxylate anions and two or four monodentately coordinated Hdmpz molecules. Additional stabilization of the complexes is carried out by the inter- and intramolecular hydrogen bonds. Co and Ni catalysts obtained by chemical activation of <strong>1</strong> and <strong>3</strong> exhibit high catalytic activity in a continuous dicyclopentadiene (DCPD) hydrogenation process at atmospheric hydrogen pressure<em>.</em> Slow relaxation of magnetization has been found for complexes by use of ac-magnetometry for compounds <strong>1</strong> and <strong>4</strong> at 1000 Oe dc-field in contrast with <strong>2, 3, 5, 6</strong> exhibiting no slow magnetic relaxation. Biological activity of <strong>1</strong>–<strong>6</strong> has been determined against a non-pathogenic strain of <em>Mycobacterium smegmatis.</em></div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122445"},"PeriodicalIF":2.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652515","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":"A flexible ten carbon long-chain salamo-like fluorescent probe for highly efficient and selective recognition of Cr2O72− ions, mechanism and practical application","authors":"Li-Ping Na ,&nbsp;Tao Zheng ,&nbsp;Zhang Cai ,&nbsp;Na Tuo ,&nbsp;Yi-Fan Ding ,&nbsp;Chen Chen ,&nbsp;Wen-Kui Dong","doi":"10.1016/j.ica.2024.122449","DOIUrl":"10.1016/j.ica.2024.122449","url":null,"abstract":"<div><div>Based on salicylaldehyde unit, we designed and synthesized a novel fluorescent chemical probe <strong>DSS</strong>, which has a flexible long chain and contains ten methylene units. The experimental results showed that the fluorescent probe <strong>DSS</strong> can efficiently and selectively recognize Cr₂O₇²⁻ anions, having a detection limit LOD of 1.14 × 10⁻⁷ M. Additionally, the binding constant (<em>Ka</em>) of the probe was 3.75 × 10⁴ M⁻¹, the minimum quantification limit LOQ was as low as 3.82 × 10⁻⁷ M. We systematically studied the recognition mechanism of fluorescence chemical sensor <strong>DSS</strong> through fluorescence and UV visible spectroscopy. Significantly, the fluorescence of the chemosensor <strong>DSS</strong> can be remarkably quenched by Cr₂O₇²⁻ <em>via</em> the Internal Filtering Effect (IFE). Based on this phenomenon, a novel salamo-like fluorescence method for detection of Cr₂O₇²⁻ was established. The proposed fluorescent method was successfully applied to the detection of Cr₂O₇²⁻ in rainwater, tap water, and Yellow River water.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122449"},"PeriodicalIF":2.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652514","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":"Exploring supramolecular C-Br…Br-C interactions as organizing tools in a novel Ni(II)-tetrabromophthalate complex. Crystal structure and solvatochromism studies","authors":"Cristian Pinzón-Vanegas,&nbsp;Josue Valdes-García,&nbsp;Alejandro O. Viviano-Posadas,&nbsp;Juan Pablo León-Gómez,&nbsp;Simón Hernández-Ortega,&nbsp;Alejandro Dorazco-González","doi":"10.1016/j.ica.2024.122444","DOIUrl":"10.1016/j.ica.2024.122444","url":null,"abstract":"<div><div>The understanding of the non-covalent halogen^…halogen interaction inside coordination complexes has special interest as design tools in crystal engineering and coordination chemistry. In this work, we show the use of the supramolecular C-Br^…Br-C interactions as a tool in the crystalline organization of a Ni(II) complex and its solvatochromic properties. To do so, we selected the 3,4,5,6-tetrabromophthalate (TBrPh) ligand where the Br atoms pointing outside to favor their self-assembly through these interactions.</div><div>Thus, a novel complex, [Ni(tmeda)(TBrPh)(H₂O)₃]•CH₃OH was synthesized by the reaction between [Ni(tmeda)].(NO₃)₂ (tmeda = <em>N</em>, <em>N</em>, <em>N’</em>, <em>N’</em>-tetramethylethylenediamine) and K₂TBrPh. The Ni(II)-complex was structurally analyzed by single-crystal X-ray diffraction, Hirshfeld surfaces, multiple analytical tools and DFT calculations.</div><div>Structural analysis shows that Ni(II)-complex has 1D supramolecular chains based on the cooperativity of intra/inter-molecular charged-assisted hydrogen bonds of type Ni-OH₂^…O and C<em>_sp2</em>-Br^…Br-C<em>_sp2</em> interactions into 2D networks. These Br^…Br interactions organize the crystal packing in the solid state as is evidenced by the molecular electrostatic potential studies and Plot of Hirsfeld surface.</div><div>This Ni(II)-complex displays solvatochromism with a wide range of solvents (alcohols, DMF, CH₃CN, chlorinated solvents), and solvent-dependent absorption maxima presents linear behavior as a function of their dielectric constant.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122444"},"PeriodicalIF":2.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring Schiff bases derived from 4-(diethylamino)salicylaldehyde and their copper(II) complexes as antidiabetes and antioxidant agents: Structural elucidation, DFT computational and in vitro studies","authors":"Segun D. Oladipo ,&nbsp;Robert C. Luckay ,&nbsp;Kolawole A. Olofinsan ,&nbsp;Abosede A. Badeji ,&nbsp;Sithabile Mokoena","doi":"10.1016/j.ica.2024.122447","DOIUrl":"10.1016/j.ica.2024.122447","url":null,"abstract":"<div><div>A series of three Schiff base ligands and their metal complexes with copper(II) have been prepared. The ligands are (E)-5-(diethylamino)-2-(((2,6-dimethylphenyl)imino)methyl)phenol (<strong>C1</strong>), (E)-5-(diethylamino)-2-(((2,6-diisopropylphenyl)imino)methyl)phenol (<strong>C2</strong>) and (E)-5-(diethylamino)-2-((mesitylimino)methyl)phenol (<strong>C3</strong>). They were reacted with copper(II) nitrate trihydrate (Cu(NO₃)₂·3H₂O) to give [Cu(<strong>C1</strong>)₂] (<strong>1</strong>), [Cu(<strong>C2</strong>)₂] (<strong>2</strong>), and [Cu(<strong>C3</strong>)₂] (<strong>3</strong>). All the synthesized compounds were elucidated by exploring mass, FT-IR, UV–Vis, and NMR (¹H &amp;¹³C) spectroscopic techniques while elemental analysis was carried out to affirm their purity. The paramagnetic nature of <strong>1</strong>, <strong>2</strong> and <strong>3</strong> was established using EPR spectra. The molecular structure of <strong>C1</strong> and <strong>C2</strong> were further confirmed using single crystal X-ray crystallography. The bond lengths of C7<img>N1, C7<img>C8 and C8<img>C9 obtained from structural analysis for <strong>C1</strong> and <strong>C2</strong> depicted their enol-tautomeric characteristic form. Quantum chemical calculations revealed that all the compounds have small energy band gaps (ΔE) with complex <strong>2</strong> having the lowest ΔE of 0.21 eV. The antidiabetes potential of the compounds were evaluated using α-amylase and α-glucosidase assays. Compound <strong>C1</strong> with an IC₅₀ value of 0.11 mM, displayed almost equal α-amylase inhibition capacity as the one for acarbose (reference drug) with IC₅₀ value of 0.07 mM. Compounds <strong>C3 a</strong>nd <strong>2</strong> displayed good α-glucosidase inhibition activities with IC₅₀ value of 0.05 mM and 0.19 mM respectively. The synthesized compounds displayed moderate to excellent antioxidant potential. Complex <strong>1</strong> and the ligands (<strong>C1</strong>–<strong>C3</strong>) have lower IC₅₀ value than quercetin (reference drug) for nitric oxide assay. Estimated physicochemical parameters revealed that <strong>C1</strong> and <strong>C3</strong> fell within the threshold of Lipinski’s rule of five (Ro5) while <strong>C2</strong> as well as complex <strong>1</strong>–<strong>3</strong> deviates minimally.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122447"},"PeriodicalIF":2.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Functionalized metal–organic precursors derived CeO2 for catalytic synthesis of dimethyl carbonate from CO2 and methanol","authors":"Dongdu Zhang ,&nbsp;Lejing Shen ,&nbsp;Wei Mao ,&nbsp;Daoyun Zhu ,&nbsp;Qiaoyu Zhang ,&nbsp;Qing Zu ,&nbsp;Ling Tan ,&nbsp;Libin Liu ,&nbsp;Xiayi Hu ,&nbsp;Yangqiang Huang ,&nbsp;Hao Chen ,&nbsp;Xiao Luo","doi":"10.1016/j.ica.2024.122435","DOIUrl":"10.1016/j.ica.2024.122435","url":null,"abstract":"<div><div>Dimethyl carbonate (DMC) was synthesized using CO₂ and methanol by different CeO₂ catalysts obtained from functionalized metal–organic precursors. CeO₂ produced from 1,2,4-benzenetricarboxylic acid (BTC) exhibits the greatest catalytic activity. The results of catalyst characterization manifested that the content of oxygen vacancy and Ce³⁺ on the surface of the CeO₂ catalysts is affected by different organic ligand. At the same time, the content of Ce³⁺ is positively correlated with Hammett’s values. The high catalytic activity of CeO₂-BTC is due to the highest oxygen vacancy and Ce³⁺ content. The solvothermal time and calcination temperature had great influence on the catalytic properties of the CeO₂ catalysts.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122435"},"PeriodicalIF":2.7,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652509","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":"Characterization (XRD/TGA-DSC) and assessment of calf thymus DNA interaction with single-crystalline novel complexes from Schiff base ligands","authors":"Jeniffer Meyer Moreira ,&nbsp;Raphael Rodrigues ,&nbsp;Magno Aparecido Gonçalves Trindade ,&nbsp;Karine Cáceres dos Santos ,&nbsp;Monize Martins da Silva ,&nbsp;Bárbara Tirloni ,&nbsp;Cândida Alíssia Brandl ,&nbsp;Guilherme Caneppele Paveglio ,&nbsp;Daiane Roman ,&nbsp;Cláudio Teodoro de Carvalho","doi":"10.1016/j.ica.2024.122443","DOIUrl":"10.1016/j.ica.2024.122443","url":null,"abstract":"<div><div>The Schiff base complexes [Zn(H₂L)₂Cl₂] ²/₃(CH₃OH) ²/₃(H₂O) (<strong>1</strong>) and [Cd(H₂L)₂(NO₃)₂(CH₃OH)₂] (<strong>2</strong>), where H₂L is an <em>N</em>-Acylhydrazone ligand, have been investigated mainly using a combinatory approach of single-crystal X-ray diffractometry (XRD), thermogravimetric and differential thermal analysis (TGA-DSC). XRD analysis revealed that both complexes coordinate through the nitrogen atom of the ligand’s pyridine ring. In complex (<strong>1</strong>), the zinc(II) ion coordinates with two ligands and two chloride ions, forming a distorted tetrahedral geometry. In complex (<strong>2</strong>), the cadmium(II) ion coordinates with two ligands, two nitrate ions, and two methanol molecules, resulting in an octahedral geometry. The crystalline material’s high purity and precise stoichiometry were crucial for accurate thermoanalytical analysis. Additionally, characterizations were performed using infrared (IR), ultraviolet–visible (UV–vis), molar conductivity, elemental analysis (EA) and nuclear magnetic resonance (NMR) spectroscopy. Biological studies with calf thymus DNA (CT-DNA), using UV–vis spectroscopy, viscosity measurements and ethidium bromide displacement assays indicated intercalative binding of the complexes with DNA. The binding (K_b) and quenching (K_sv) constants (10⁴ L/mol) suggest moderate interaction with CT-DNA. The positive partition coefficients (log P) values in water and 1-octanol suggest a significant preference for the lipid-like organic phase, implying that these complexes can efficiently penetrate biological membranes.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122443"},"PeriodicalIF":2.7,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652512","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":"Elaboration of a new 4-(4-nitrophenyl)piperazin-1-ium tetrakis(thiocyanato)-cobalt hydrate: Crystal structure, optical properties, quantum computational investigation, electrical and biological study","authors":"Khaoula Abidi ,&nbsp;Atazaz Ahsin ,&nbsp;Jawher Makhlouf ,&nbsp;Youness El Bakri ,&nbsp;Hatem A. Abuelizz ,&nbsp;Rashad Al-Salahi ,&nbsp;Arto Valkonen ,&nbsp;Wajda Smirani Sta","doi":"10.1016/j.ica.2024.122438","DOIUrl":"10.1016/j.ica.2024.122438","url":null,"abstract":"<div><div>The preparation, spectroscopic, biological, and electrical characterization, in addition to the X-ray crystal structure investigation of a novel three-dimensional compound (C₁₀H₁₄N₃O₂)₂ [Co(NCS)₄].H₂O ((NPP)₂[Co(NCS)₄].H₂O) is reported. The synthesized compound crystallizes in the Pna2₁ space group. The structure comprises layers of cobalt (II) bridged by terminally bound thiocyanate-N ligand achieving distorted MN4 tetrahedron surroundings around the metal center. The vibrational modes of the functional groups were investigated using FT-IR measurements. Hirshfeld surface (HS) analysis and electronic structures calculations reveal the excellent reactivity and intermolecular interactions in stabilizing complex. The change transfer and NLO parameters were also computed using the DFT method. The study of the optical behavior reveals a high optical property. Explorations of impedance spectroscopy on (NPP)₂[Co(NCS)₄].H₂O reveals fascinating electrical behavior which reveals that the Co complex component can be used as an electronic chip under certain conditions. The thermal analysis was used to confirm the crystal’s thermal stability. The compound’s antimicrobial activity suggested that the Cobalt complex acts as an inhibitor Agent against different types of bacteria.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122438"},"PeriodicalIF":2.7,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652505","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":"Selective diesterase-like activity of bioinspired FeIIINiII and FeIIIZnII complexes and their 3-aminopropyl silica composites: A homo- and heterogeneous catalytic study","authors":"Clovis Piovezan ,&nbsp;Jaqueline M.R. Silva ,&nbsp;Daniele C. Durigon ,&nbsp;Maiara I.N. dos Santos ,&nbsp;Eduardo E. Castellano ,&nbsp;Adailton J. Bortoluzzi ,&nbsp;Ademir Neves ,&nbsp;Fernando R. Xavier ,&nbsp;Rosely A. Peralta","doi":"10.1016/j.ica.2024.122439","DOIUrl":"10.1016/j.ica.2024.122439","url":null,"abstract":"<div><div>In this study, the preparation and characterization of two new mixed-valence heterodinuclear complexes [Fe^IIINi^II(BPPAMFF)(<em>μ</em>-OAc)₂(H₂O)]ClO₄ (<strong>1</strong>) and [Fe^IIIZn^II(BPPAMFF)(<em>μ</em>-OAc)₂(H₂O)]ClO₄ (<strong>2</strong>) with the bioinspired ligand 2-[(<em>N</em>-benzyl-<em>N</em>-2-pyridylmethylamine)]-4-methyl-6<em>-</em>[<em>N</em>-(2-pyridylmethyl)aminomethyl)])-4-methyl-6-formylphenol (H₂BPPAMFF) are reported. These compounds were immobilized in 3-aminopropyl silica (APS) to afford composites APS-<strong>1</strong> and APS-<strong>2</strong> successfully. The aldehyde-containing ligand provided a reactive functional group, which could serve as a cross-linking group to bind the complexes to the directly amino-modified SiO₂ surface. The complexes’ chemical integrity on the APS inorganic platform were probed by spectroscopical techniques, such as FTIR, UV–Vis and EPR. Potentiometric and spectrophotometric titrations allowed the chemical species present in solution to be rationalized, and identified which of them were potentially active in the hydrolytic cleavage of phosphodiester 2,4-BDNPP. Kinetic studies showed that Fe^IIINi^II species (<strong>1</strong> and APS-<strong>1</strong>) presented higher catalytic efficiency (E = <em>k</em>_cat/<em>K</em>_M) than Fe^IIIZn^II species (<strong>2</strong> and APS-<strong>2</strong>). Catalytic mechanisms were proposed based on a series of kinetic experiments, in which all the catalysts tested behaved as selective phosphodiesterases. In addition, it was also demonstrated that the hydrolase activity of the immobilized catalytic centers, APS-<strong>1</strong> and APS-<strong>2,</strong> was better than the homogeneous processes, where second coordination sphere effects may be involved in directing and stabilizing the transition state.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122439"},"PeriodicalIF":2.7,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652411","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":"Phosphatase-like activity of a newly synthesized and structurally characterized Zn(II) complex [ZnII2(L)(NCS)2] [LH2 = a Schiff base] in water and DMSO-water solvent systems","authors":"Indrani Ray Chowdhury ,&nbsp;Saikat Samanta ,&nbsp;Sakshi ,&nbsp;Angshuman Roy Choudhury ,&nbsp;Rajarshi Ghosh","doi":"10.1016/j.ica.2024.122436","DOIUrl":"10.1016/j.ica.2024.122436","url":null,"abstract":"<div><div>Synthesis and single crystal X-ray diffraction characterization of a Zn(II) compound [Zn₂(L)(NCS)₂] (<strong>1</strong>) [H₂L = 6,6′-((propane-1,3-diylbis(azaneylylidene))bis(methaneyl-ylidene))bis(2-methoxyphenol)] has been reported. The two Zn(II) centres in <strong>1</strong> separately have distorted square pyramidal and distorted trigonal bipyramidal geometries. On employing <strong>1</strong> with the model substrate disodium salt of 4-nitrophenylphosphate (4-NPP), the title compound is found to show phosphatase-like activity in water and 95% (v/v) DMSO-water solvent systems. The reactions were monitored spectrophotometrically. Increase in absorption intensity separately at 405 nm (water) and 419 nm (DMSO-water) indicates the catalytic dissociation of NPP to 4-nitrophenol. Kinetic measurements revealed the K_cat (s⁻¹) as 4.92 × 10⁻² and 10.69 × 10⁻², respectively in water and 95% (v/v) DMSO-water system. The proposed reaction mechanism of the phosphatase-like reaction was supported by Density Functional Theory (DFT) calculations. The reaction-intermediate of the catalytic reaction was trapped by High Resolution Mass Spectrometry (HRMS).</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122436"},"PeriodicalIF":2.7,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652508","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":"Characterization of molecular oxygen binding to [CoII(1,4,8,11-tetraazacyclotetradecane)] in aqueous solutions","authors":"Lu Quan Hau,&nbsp;Laouénan André,&nbsp;L’Her Maurice","doi":"10.1016/j.ica.2024.122437","DOIUrl":"10.1016/j.ica.2024.122437","url":null,"abstract":"<div><div>1, 4, 8,11-tetraazacyclotetradecane (cyclam), a cyclic tetramine, binds various metal cations among which Co²⁺ is of a particular importance as its complex can bind molecular oxygen and help separate it from nitrogen of air. The stability constants of the O₂ complexes have been the subject of many works but, due to kinetic complications, none of these studies yielded satisfactory results. In the present work spectrophotometry has been used to investigate the acid-base properties of the various species as well as the kinetic and thermodynamic aspects of their formation. For kinetic reasons the superoxo complex is formed primarily which then evolves to the µ-peroxo derivative, the most stable species. This study reveals why the many previous experiments conducted to measure the stability constants of the oxygen complexes have failed.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"575 ","pages":"Article 122437"},"PeriodicalIF":2.7,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652511","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}