Inorganica Chimica Acta最新文献

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Harnessing the light: The role of Polyoxometalates porphyrin based metal organic framework in CO2 reduction
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-02-08 DOI: 10.1016/j.ica.2025.122586
Taghrid S. Alomar , Muhammad Junaid , Muhammad Nadeem , Najla AlMasoud , Amal A. Al-wallan , Hafiz Muhammad Asif , Zeinhom M. El-Bahy
{"title":"Harnessing the light: The role of Polyoxometalates porphyrin based metal organic framework in CO2 reduction","authors":"Taghrid S. Alomar ,&nbsp;Muhammad Junaid ,&nbsp;Muhammad Nadeem ,&nbsp;Najla AlMasoud ,&nbsp;Amal A. Al-wallan ,&nbsp;Hafiz Muhammad Asif ,&nbsp;Zeinhom M. El-Bahy","doi":"10.1016/j.ica.2025.122586","DOIUrl":"10.1016/j.ica.2025.122586","url":null,"abstract":"<div><div>The Photocatalytic reduction of CO<sub>2</sub> to formic acid represents a promising strategy for mitigating the CO<sub>2</sub> emission. In the current study, we use the Metal organic framework (MOFs) namely (MOF@VP) incorporated with Zn (II) and redox-active Vanadium centers V<sup>(V)</sup>/V<sup>(VI)</sup> for CO<sub>2</sub> reduction. Thermogravimetric analysis (TGA) and FT-IR spectroscopy confirmed efficient CO<sub>2</sub> adsorption with a maximum adsorption capacity of 0.020 mmol/g and a desorption rate of 20 %. The Photocatalytic CO<sub>2</sub> reduction mechanism was investigated, demonstrating that MOF@VP facilitates the conversion of CO<sub>2</sub> to formic acid via electron transfer with the TEOA (Tri-ethanolamine) as a sacrificial reagent. Cyclic voltammetry revealed enhanced electrochemical activity in the presence of CO<sub>2</sub> further supporting the catalytic reduction mechanism. GC–MS analysis confirmed the formation of formic acid as a dominant product. The stability and Regeneration tests showed that the MOF@VP retained its efficiency and thermal stability after multiple cycles. These findings highlight the potential of using MOF@VP as a robust and efficient catalyst for CO<sub>2</sub> reduction, addressing key challenges in catalyst performance and longevity.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122586"},"PeriodicalIF":2.7,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143376715","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}
引用次数: 0
The photodynamic anti-cancer and anti-bacterial behaviour of meso-substituted trans-A2B2 porphyrin conjugated silica‑gold nanoparticles
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-02-06 DOI: 10.1016/j.ica.2025.122584
Vuyokazi Nobatana, James Oyim, Nnamdi Nwahara, Azole Sindelo, Tebello Nyokong
{"title":"The photodynamic anti-cancer and anti-bacterial behaviour of meso-substituted trans-A2B2 porphyrin conjugated silica‑gold nanoparticles","authors":"Vuyokazi Nobatana,&nbsp;James Oyim,&nbsp;Nnamdi Nwahara,&nbsp;Azole Sindelo,&nbsp;Tebello Nyokong","doi":"10.1016/j.ica.2025.122584","DOIUrl":"10.1016/j.ica.2025.122584","url":null,"abstract":"<div><div>The synthesis and characterization of 5,15-bis(4-(methylthio) phenyl)-10,20-di(pyridine-4-yl) porphyrin (<strong>1</strong>) and its zinc(II) derivative (<strong>2</strong>) are reported along with their gold-coated silica nanoparticle (AuSiO<sub>2</sub>) conjugates. The heavy atom effect of the zinc(II) ion resulted in complex <strong>2</strong> having high singlet oxygen quantum yields. Upon conjugation of complex <strong>1</strong> and <strong>2</strong> to AuSiO<sub>2</sub> NPs the triplet lifetimes decreased, while the singlet oxygen quantum yields increased due to an external heavy atom effect. The photodynamic therapy (PDT) activity of all the complexes was determined against MDA-MB-231 cells, and all the porphyrin complexes exhibit a relatively low in vitro dark cytotoxicity percentage cell viability of &gt;77 %. Both <strong>1</strong>-AuSiO<sub>2</sub> and <strong>2</strong>-AuSiO<sub>2</sub> conjugates display more favourable PDT activity properties upon illumination with a Thorlabs 625 nm light-emitting diode (288 J cm<sup>-2</sup>) for 30 min against MDA-MB-321 cancer cells. In a similar manner, the conjugates were found to also have significantly higher photodynamic antimicrobial activity (aPDT) against planktonic Gram-(+) cells of methicillin-sensitive <em>Staphylococcus aureus</em> (MSSA) as compared to methicillin-resistant <em>Staphylococcus aureus</em> (MRSA). The observed enhancements in the PDT and aPDT activity of <strong>1</strong>-AuSiO<sub>2</sub> and <strong>2</strong>-AuSiO<sub>2</sub> could be attributed to the high singlet oxygen generated by the nanoconjugates compared to the porphyrin complexes alone.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122584"},"PeriodicalIF":2.7,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387992","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}
引用次数: 0
Two new 2D coordination polymers as a fluorescence “turn-on” probe for highly selective and sensitive detection of Sparfloxacin
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-02-06 DOI: 10.1016/j.ica.2025.122565
Guiling Gao , Yiming Ren , Lei Wang , Xuanqi Zhang , Xiaoyong Lai , Qin Hou , Yi Li , Zhiyong Teng , Xiaozhong Wang , Qingfeng Yang
{"title":"Two new 2D coordination polymers as a fluorescence “turn-on” probe for highly selective and sensitive detection of Sparfloxacin","authors":"Guiling Gao ,&nbsp;Yiming Ren ,&nbsp;Lei Wang ,&nbsp;Xuanqi Zhang ,&nbsp;Xiaoyong Lai ,&nbsp;Qin Hou ,&nbsp;Yi Li ,&nbsp;Zhiyong Teng ,&nbsp;Xiaozhong Wang ,&nbsp;Qingfeng Yang","doi":"10.1016/j.ica.2025.122565","DOIUrl":"10.1016/j.ica.2025.122565","url":null,"abstract":"<div><div>High selectivity detection and fast response for Sparfloxacin (Spa) is always a challenge. In this paper, two new coordination polymers [InCl(PPA)(H<sub>2</sub>O)]<sub>n</sub>·nH<sub>2</sub>O (<strong>1</strong>) and [La(PPA)(ox)<sub>1/2</sub>(H<sub>2</sub>O)]<sub>n</sub> (<strong>2</strong>). (H<sub>2</sub>PPA = 3-(pyridin-3-yloxy)phthalic acid, H<sub>2</sub>ox = oxalic acid) were synthesized by hydrothermal method and analyzed in depth by X-ray single crystal diffraction, elemental analysis, IR spectroscopy, PXRD and thermogravimetric analysis. Both compounds <strong>1</strong> and <strong>2</strong> display 2D layered structures. Notably, these two compounds behave as fluorescent sensors toward Spa with high sensitivity, selectivity with low detection limits of 18.16 and 48.17 nM, respectively. The present work investigated the mechanism of fluorescence enhancement by Spa for both compounds, which may be the result of the interaction between Spa and ligand. It is worth noting that for the first time, the coordination polymer was established to detect Spa by fluorescence sensing method.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122565"},"PeriodicalIF":2.7,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372340","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}
引用次数: 0
Ruthenium(II) complexes synthesized as potential inducers of conformation inversion of AS1411 G4 DNA 作为 AS1411 G4 DNA 构象反转潜在诱导剂合成的钌(II)配合物
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-02-06 DOI: 10.1016/j.ica.2025.122585
Peishan Huang , Wenhui Deng , Qiong Wu , Wanwan Hong , Jing Liu , Jiangbo Liang , Bin Zhao , Wenjie Mei
{"title":"Ruthenium(II) complexes synthesized as potential inducers of conformation inversion of AS1411 G4 DNA","authors":"Peishan Huang ,&nbsp;Wenhui Deng ,&nbsp;Qiong Wu ,&nbsp;Wanwan Hong ,&nbsp;Jing Liu ,&nbsp;Jiangbo Liang ,&nbsp;Bin Zhao ,&nbsp;Wenjie Mei","doi":"10.1016/j.ica.2025.122585","DOIUrl":"10.1016/j.ica.2025.122585","url":null,"abstract":"<div><div>Herein, four ruthenium(II) complexes, [Ru(L)<sub>2</sub>(PEIP)(CH<sub>2</sub>)<sub>4</sub>Br)](ClO<sub>4</sub>)<sub>2</sub> (L = phen, <strong>1</strong>; bpy, <strong>2</strong>, PEIP = 2-(2-phenyl-ethenyl)-1<em>H</em>-imidazole-[4,5<em>f</em>][1,10]phenanthroline) and [Ru(L)<sub>2</sub>(PEIP)(CH<sub>2</sub>)<sub>4</sub>Erianin)](ClO<sub>4</sub>)<sub>2</sub> (L = phen, <strong>1E</strong>; bpy, <strong>2E</strong>) have been synthesized and investigated as promising inducer to promote conformation inversion of AS1411 G4 DNA. All of these complexes can bind and stabilize AS1411 G4 DNA. Subsequent investigations reveal that in the presence of 1 and 1E, the described circular dichroism signal of AS1411 G4 DNA was reversed. Furthermore, it is discovered that in the presence of 1 and 1E, AS1411 G4 DNA can condense to a somewhat loose nano-network. Moreover, the analysis using molecular docking demonstrates that the conformation inversion of AS1411 G4 DNA is largely dependent on the binding sites of 1 and 1E. In conclusion, these complexes will be used for tumor diagnostics in the clinical context because of their capacity to stably bind AS1411 G4 DNA and dramatically boost its fluorescence emission. Besides, these complexes show promise as inducers of AS1411 G4 DNA conformational inversion.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122585"},"PeriodicalIF":2.7,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143394557","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}
引用次数: 0
Two ligands-based europium luminescent coordination polymer, Eu2(PZDC)(PDC)2(H2O)6
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-02-05 DOI: 10.1016/j.ica.2025.122583
Lowik Dewez--Raszka , Sanae Hommada , Yan Suffren , Nathalie Audebrand
{"title":"Two ligands-based europium luminescent coordination polymer, Eu2(PZDC)(PDC)2(H2O)6","authors":"Lowik Dewez--Raszka ,&nbsp;Sanae Hommada ,&nbsp;Yan Suffren ,&nbsp;Nathalie Audebrand","doi":"10.1016/j.ica.2025.122583","DOIUrl":"10.1016/j.ica.2025.122583","url":null,"abstract":"<div><div>The title compound, europium pyrazine- and pyridine-dicarboxylate hexahydrate, Eu<sub>2</sub>(C<sub>6</sub>H<sub>2</sub>N<sub>2</sub>O<sub>4</sub>)(C<sub>7</sub>H<sub>3</sub>NO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>6</sub>, has been synthesized from hydrothermal route. Its crystal structure has been determined from single-crystal X-ray diffraction. The coordination compound is built from tetramers of Eu and pyridine ligands that are linked by pyrazine ligands. These entities form layers that are pillared through hydrogen bonds. The compound possesses a bright red emission due to Eu<sup>3+</sup> cation even in the presence of vibrators such as water molecules.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122583"},"PeriodicalIF":2.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387991","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}
引用次数: 0
A chemosensing approach for the detection of Cu2+ ion using benzothiazole based probe and its applications in anticancer studies
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-02-05 DOI: 10.1016/j.ica.2025.122582
S. Dhanapal , F. Riyazur Rahman , R. Veerasamy , A. Kosiha , D. Sabarinathan , G. Kalaiarasi
{"title":"A chemosensing approach for the detection of Cu2+ ion using benzothiazole based probe and its applications in anticancer studies","authors":"S. Dhanapal ,&nbsp;F. Riyazur Rahman ,&nbsp;R. Veerasamy ,&nbsp;A. Kosiha ,&nbsp;D. Sabarinathan ,&nbsp;G. Kalaiarasi","doi":"10.1016/j.ica.2025.122582","DOIUrl":"10.1016/j.ica.2025.122582","url":null,"abstract":"<div><div>The current research work describes the design and synthesis of a novel chemosensor</div><div>(2-(benzo[<em>d</em>]thiazol-2-yl)-6-(((4-bromophenyl)imino)methyl)phenol) (<strong>HBPA</strong>) for the detection of metal ions. Formation of the probe (<strong>HBPA</strong>) was confirmed by using various spectroscopic techniques. The sensing ability of <strong>HBPA</strong> with various metal ions were examined by colorimetric and fluorimetric techniques and the obtained results confirmed the selective detection of Cu<sup>2+</sup> ions by the probe with the limit of detection of 2.0300 × 10<sup>−4</sup> M. The probe exhibited good binding constant with the Cu<sup>2+</sup> ion as 3.6957 ± 0.33 × 10<sup>4</sup> M<sup>−1</sup>. Spectral results revealed 1:2 stoichiometry in the complex <strong>HBPA-Cu</strong><sup><strong>2+</strong></sup> during interaction between metal and probe. Experimental observations on binding of the probe with copper ions was corroborated with density functional theory (DFT). Further, the cytotoxic nature of the probe and probe-Cu<sup>2+</sup> have been examined with HeLa (human cervical cancer cells) and HepG2 (human liver cancer cells) and the obtained results revealed that the compounds possessed good cytotoxic activity compared with the positive control doxorubicin. <strong>HBPA</strong> acts as a good chemosensor for the detection of Cu<sup>2+</sup> ion as well as exhibits good cytotoxic activity towards the HepG2 and HeLa cell lines.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122582"},"PeriodicalIF":2.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143376716","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}
引用次数: 0
Effect of phosphane ligands in the nucleophilic additions at iridium allenylidene complexes
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-02-03 DOI: 10.1016/j.ica.2025.122577
Nerea Soto-Durán, David Gallego-García, Maria Talavera, Sandra Bolaño
{"title":"Effect of phosphane ligands in the nucleophilic additions at iridium allenylidene complexes","authors":"Nerea Soto-Durán,&nbsp;David Gallego-García,&nbsp;Maria Talavera,&nbsp;Sandra Bolaño","doi":"10.1016/j.ica.2025.122577","DOIUrl":"10.1016/j.ica.2025.122577","url":null,"abstract":"<div><div>The reactivity of allenylidene complexes towards nucleophilic additions has been deeply investigated in ruthenium complexes, however, studies involving iridium complexes are scarce. Thus, several acetonitrile complexes have been synthesized as precursors for the <em>in situ</em> nucleophilic additions of phosphanes and amines at non-isolated allenylidene complexes of formula [IrCp*Cl(=C=C=CPh<sub>2</sub>)(L)]PF<sub>6</sub> (L = PMe<sub>3</sub>, P(OMe)<sub>3,</sub> PPh<sub>2</sub>(OMe), PPh<sub>2</sub>Me, PCy<sub>3</sub>, P(3,5-C<sub>6</sub>H<sub>3</sub>(CF<sub>3</sub>)<sub>2</sub>)<sub>3</sub>). Therefore, addition of phosphanes as nucleophiles provided different ratios of the allenyl [IrCp*Cl{C(PR<sub>3</sub>)=C=CPh<sub>2</sub>}(L)]PF<sub>6</sub> (<strong>4·R</strong>) and alkynyl complexes [IrCp*Cl{C≡C–CPh<sub>2</sub>(PR<sub>3</sub>)}(L)]PF<sub>6</sub> (<strong>5·R</strong>) (R = Ph, OMe, Me) depending on the phosphane used as nucleophile and the one bonded to the metal center. The regioselectivity mainly arose from steric demand instead of the electronic effect of the phosphanes. The addition of amines led, in most cases, to the first substituted aminocarbene complexes [IrCp*Cl{=C(NRR')–CH=CPh<sub>2</sub>}(L)]PF<sub>6</sub> (R = H, R' = Et (<strong>6</strong>); R = R' = Et (<strong>7</strong>)) with the {IrCp*Cl(PR<sub>3</sub>)<sup>+</sup>} fragment; however, using a bulky phosphane such as PCy<sub>3</sub>, formation of a second product was observed, probably an iridanaphthalene derivative [IrCp*{κ<sup>2</sup><em>C,C</em>-{=C(NRR')–CH=CPh<sub>2</sub>}(PCy<sub>3</sub>)]PF<sub>6</sub> (R = H, R' = Et (<strong>8</strong>); R = R' = Et (<strong>9</strong>)).</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122577"},"PeriodicalIF":2.7,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143376714","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}
引用次数: 0
Preparation, modification and applications of sepiolite nanofibers: A review
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-02-03 DOI: 10.1016/j.ica.2025.122567
Kaihang Zhou , Qin Qin , Gaigai Duan , Qiliang Fu , Haoqi Yang , Xiaoshuai Han , Chunmei Zhang , Shuijian He , Shaohua Jiang
{"title":"Preparation, modification and applications of sepiolite nanofibers: A review","authors":"Kaihang Zhou ,&nbsp;Qin Qin ,&nbsp;Gaigai Duan ,&nbsp;Qiliang Fu ,&nbsp;Haoqi Yang ,&nbsp;Xiaoshuai Han ,&nbsp;Chunmei Zhang ,&nbsp;Shuijian He ,&nbsp;Shaohua Jiang","doi":"10.1016/j.ica.2025.122567","DOIUrl":"10.1016/j.ica.2025.122567","url":null,"abstract":"<div><div>In recent years, the ongoing advancement of nanotechnology has facilitated the extensive application of natural mineral materials across various fields. Among these natural minerals, sepiolite fibers, a fibrous hydrated magnesium silicate, exhibit remarkable properties, including exceptional adsorption capacity, thermal stability, rheological characteristics, and biocompatibility. To optimize the utilization of the inherent characteristics of sepiolite fibers, numerous researchers have integrated nanotechnology with sepiolite fibers, conducting extensive and multifaceted investigations. Given the rapid increase in research interest in this topic over the past few years, this paper provides a selective review of the preparation, modification methods, and applications of sepiolite nanofibers. Notably, in addition to traditional preparation techniques, innovative and superior methods such as microwave- hydrogen peroxide method and high-speed airflow techniques are also discussed. Following appropriate modifications, the hydrophobicity, mechanical properties, and load-bearing capacity of sepiolite nanofibers have been significantly enhanced, and their compatibility with polymers has markedly improved, leading to widespread applications in catalysis, adsorption, flame retardancy, rheological thickening, humidity control, and biomedicine.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122567"},"PeriodicalIF":2.7,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143303376","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}
引用次数: 0
Rare open zinc cluster of a novel multidentate Schiff base containing 1,2,3-triazole derivative: Stepwise synthesis, characterization, XRD, HSA, %Vbur, τ and CV studies
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-01-30 DOI: 10.1016/j.ica.2025.122569
Musa A. Said , David L. Hughes , Nadjet Rezki , Mohamed R. Aouad , Clemens Lücke , Wolfgang Frey , Biprajit Sarkar
{"title":"Rare open zinc cluster of a novel multidentate Schiff base containing 1,2,3-triazole derivative: Stepwise synthesis, characterization, XRD, HSA, %Vbur, τ and CV studies","authors":"Musa A. Said ,&nbsp;David L. Hughes ,&nbsp;Nadjet Rezki ,&nbsp;Mohamed R. Aouad ,&nbsp;Clemens Lücke ,&nbsp;Wolfgang Frey ,&nbsp;Biprajit Sarkar","doi":"10.1016/j.ica.2025.122569","DOIUrl":"10.1016/j.ica.2025.122569","url":null,"abstract":"<div><div>A novel multidentate Schiff base ligand, N'4,N'5-bis((E)-3,5-di-tert-butyl-2-hydroxybenzylidene)-1-(2-(2-((E)-3,5-di-tert-butyl-2-hydroxybenzylidene)hydrazinyl)-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarbohydrazide (<strong>5</strong>), was successfully synthesized via an acid-catalyzed condensation reaction. The process involved reacting 1-(2-hydrazineyl-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarbohydrazide (<strong>4</strong>) with three equivalents of the appropriate aldehyde under traditional Schiff base conditions. The synthetic route began with the preparation of 1,2,3-triazole tris-ester (<strong>3</strong>) from diethyl acetylenedicarboxylate (<strong>1</strong>) and ethyl azidoacetate (<strong>2</strong>), employing a highly efficient solvent-free reaction that yielded 96 %. Subsequent hydrazinolysis of the tris-ester afforded the tris-acid hydrazide (<strong>4</strong>) in 92 % yield.</div><div>NMR spectroscopy confirmed the structure of the hydrazide with distinct NH<sub>2</sub> and NH protons resonating at 4.29–4.59 ppm and 8.79–9.39 ppm, respectively. Ligand 5, containing hydroxyl and nitrogen donor groups, was employed to synthesize binuclear zinc complexes with two independent zinc centers: Zn (Jos and Suja, 2023 (1)) displayed square pyramidal geometry, while Zn (Juyal et al., 2023 (2)) exhibited distorted octahedral geometry. The zinc complex crystallized in a triclinic system (<em>P</em><sub><em>−</em></sub><sub><em>1</em></sub> space group) and formed a dimer stabilized by hydrogen bonding, with a packing arrangement that featured a major void stabilized by a 10-member hydrogen-bonded ring system.</div><div>Hirshfeld surface analysis (HSA) and cyclic voltammetry (CV) were performed to understand the complex's physical and electrochemical properties. Using ChimeraX software, the percent buried volume (%Vbur) was calculated, providing insights into steric interactions between the ligand and the zinc coordination sites. This analysis was essential for optimizing ligand design, minimizing steric hindrance around the metal centre. The findings of this study could aid in advancing Schiff base ligands and zinc complexes for materials science applications, though additional research is required. The results highlight the critical role of steric hindrance, NH, OH, NCH<sub>2</sub>, NCH, ethanol solvents, and acetic acid groups attached to the zinc metal in influencing the structural and reactive properties of metal-ligand complexes, offering valuable insights into their behaviour within chemical systems.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"579 ","pages":"Article 122569"},"PeriodicalIF":2.7,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143303710","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}
引用次数: 0
Design, synthesis, crystal structure and spectral characterization of copper(II) complexes of the heterocyclic aroylhydrazones: Antimicrobial and antitubercular activity studies
IF 2.7 3区 化学
Inorganica Chimica Acta Pub Date : 2025-01-28 DOI: 10.1016/j.ica.2025.122568
Ganesh S. Hegde , Satish S. Bhat , Sabiha Shaikh , Vinayak Kamat , Vidyanand K. Revankar
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