Inorganica Chimica Acta最新文献

{"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}

{"title":"Palladium(II) coordination of N-heterocyclic carbene ligands with a triazole moiety in the nitrogen substituent","authors":"Andrea Longhi ,&nbsp;Francesca Malori ,&nbsp;Marco Baron ,&nbsp;Marzio Rancan ,&nbsp;Marco Roverso ,&nbsp;Lidia Armelao ,&nbsp;Sara Bogialli ,&nbsp;Laura Orian ,&nbsp;Cristina Tubaro","doi":"10.1016/j.ica.2024.122498","DOIUrl":"10.1016/j.ica.2024.122498","url":null,"abstract":"<div><div>A series of <em>N</em>-heterocyclic carbene (NHC) palladium complexes derived from <em>N</em>-methyl or <em>N</em>-mesityl-imidazolium salts bearing a triazole ring as pendant group to the second nitrogen atom, have been synthesized and characterized by NMR spectroscopy, mass spectrometry and single-crystal X-ray diffraction. Deprotonation of the imidazolium salt with palladium(II) acetate in acetonitrile affords square-planar Pd(II) complexes of general formula [PdI₂(NHC)₂] with <em>trans</em> geometry. The steric hindrance of the NHC ligand substituents allows to characterize in solution both rotation <em>syn</em> and <em>anti</em> isomers. In contrast, in the crystallization process, the <em>cis</em>-[PdI₂(NHC)₂] form was isolated, and its structure was determined by XRD. The stability of the possible geometrical and rotational isomers has been assessed also via DFT calculations (level of theory: COSMO-ZORA-BLYP(D3(BJ))/TZP). A second product forms along with the mononuclear complex and was identified as a dinuclear complex with the NHC and the nitrogen atom of the triazole ring bridging two <em>trans</em>-PdI₂ units. Finally, the nitrogen atom on the triazole ring was methylated affording a pendant triazolium salt, which can also give a carbene ligand upon deprotonation.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122498"},"PeriodicalIF":2.7,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138366","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":"Carboxylato-bridged linear trinuclear copper(II) ferromagnetic complexes","authors":"Arup Kumar Das ,&nbsp;Sukanta Mandal ,&nbsp;Narottam Mukhopadhyay ,&nbsp;Francesc Lloret ,&nbsp;Rabindranath Mukherjee","doi":"10.1016/j.ica.2024.122501","DOIUrl":"10.1016/j.ica.2024.122501","url":null,"abstract":"<div><div>Three new trinuclear copper(II) complexes [Cu^II₃(L²)₄(2-picolinate)₂(OClO₃)₂](ClO₄)₂·2CH₃COCH₃·2CH₃OH (<strong>1</strong>), [Cu₃(L²)₄(2-picolinate)₂(CH₃OH)₂(OClO₃)₂](ClO₄)₂ (<strong>1a</strong>) and [Cu^II₃(L²)₄(2,6-dipicolinate)₂](ClO₄)₂·6CH₃OH·2H₂O (<strong>2</strong>) (L² = 1-benzyl-[3-(2′-pyridyl)]pyrazole; 2-picolinate = 2-pyridinecarboxylate ion and 2,6-dipicolinate = 2,6-pyridinedicarboxylate ion) have been synthesized and structurally characterized. Complexes <strong>1</strong> and <strong>1a</strong> differ only in the terminal Cu(II) coordination; <strong>1</strong> has five- (distorted trigonal-bypyramidal) and <strong>1a</strong> has six- (distorted octahedral with additional CH₃OH coordination), due to slightly differing crystallization conditions. In <strong>1</strong> and <strong>1a</strong>, the central Cu(II) ion is six-coordinate in which the four equatorial positions (N₂O₂) are occupied by two 2-picolinate ions and two apical positions are occupied by two perchlorate ions. In <strong>2</strong> the central Cu(II) ion is coordinated by two tridentate 2,6-dipicolinate ions. Each terminal Cu(II) ions in <strong>1</strong> and <strong>2</strong> are coordinated by two L² ligands and by an carboxylate O from central Cu(II) bridged by 2-picolinate (μ₂-1,3) in <strong>1</strong> and <strong>1a</strong> or 2,6-dipicolinate (μ₂-1,1) in <strong>2</strong> both in the <em>syn</em>-<em>anti</em> mode. The three Cu(II) ions in <strong>1</strong>, <strong>1a</strong> and <strong>2</strong> are in a grossly linear arrangement. Susceptibility measurements (2–300 K) on <strong>1</strong> and <strong>2</strong> reveal weak ferromagnetic coupling <em>J</em> = 4.01 cm⁻¹ and <em>J</em> = 8.22 cm⁻¹, respectively, leading to a quartet ground state.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122501"},"PeriodicalIF":2.7,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138218","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":"Luminescent properties and Hirshfeld surface analyses of two new 3D Zn(II) coordination polymers assembled from isomeric terpyridyl carboxylate derivative and terephthalate ligands","authors":"Fei Yuan ,&nbsp;Yu-Tian Du ,&nbsp;Sa-Sa Shen ,&nbsp;Huai-Ming Hu ,&nbsp;Chun-Shen Zhou ,&nbsp;Cheng-Fang Qiao ,&nbsp;Bao-Yue Cao ,&nbsp;Amita Singh ,&nbsp;Abhinav Kumar","doi":"10.1016/j.ica.2024.122497","DOIUrl":"10.1016/j.ica.2024.122497","url":null,"abstract":"<div><div>Two new coordination polymers having compositions [Zn(4-cmopt)(tp)_0.5]_n (<strong>1</strong>) and [Zn(3-cmopt)(tp)_0.5]_n (<strong>2</strong>) (4-Hcmopt = 4′-(4-carboxy-methoxyphenyl)-4,2′:6′,4″-terpyridine, 3-Hcmopt = 4′-(4-carboxy-methoxyphenyl)-3,2′:6′,3″-terpyridine and H₂tp = terephthalic acid), have been designed and synthesized by altering the structure features in terpyridine moieties under similar hydrothermal reaction conditions and characterized by elemental analysis, FTIR and single crystal X-ray diffraction techniques. The single crystal X-ray diffraction studies indicate that <strong>1</strong> displays an unusual 3D coordination network which exhibits an intriguing two-fold interpenetrating new (3,4)-connected binodal topological net with the Schläfli symbol of (4.8².10³)(4.8²). While, <strong>2</strong> features an unusual three-fold interpenetrating 3D coordination network displaying an interesting new (3,4)-connected <strong><em>ins</em></strong> topological net with the Schläfli symbol of (6³)(6⁵.8). The structural differences in both CPs provide apt insights into the effect of the positional isomeric structures of terpyridyl derivative ligands on the construction of coordination polymers. Additionally, the thermal stabilities and photoluminescence properties of <strong>1</strong> and <strong>2</strong> have been studied and the Hirshfeld surface analyses have been performed to assess their lattice properties.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"577 ","pages":"Article 122497"},"PeriodicalIF":2.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138266","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}