Journal of Molecular Structure最新文献

{"title":"Fabrication of 3D flower-shaped MgAl-LDHs with inducing CuMOF for improving its adsorption and antibacterial performance","authors":"Yuanyuan Chen,&nbsp;Fengqin Tang,&nbsp;Feng Zhang,&nbsp;Yufeng He,&nbsp;Pengfei Song,&nbsp;Rongmin Wang","doi":"10.1016/j.molstruc.2024.140583","DOIUrl":"10.1016/j.molstruc.2024.140583","url":null,"abstract":"<div><div>Chronic and inappropriate use of antibiotics, antibiotic residue, and bacterial infections present a significant threat to both the environment and human health. This study focused on the effective remediation of wastewater contaminants through the synthesis of Cu-based metal-organic framework (CuMOF) conjugated with layered double hydroxide (LDHs) via hydrothermal processing, resulting in the development of a novel three-dimensional (3D) flower-shaped CuMOF@LDHs (Fc-LDHs) hybrid materials. After being characterized by SEM, FT-IR, XRD, zeta potential and BET, the obtained Fc-LDHs was applied to adsorption of antibiotics, and its antibacterial activity was also investigated. It indicated that Fc-LDHs exhibited excellent performance in both adsorption and antibacterial activity. Utilizing tetracycline (TC) as a representative antibiotic, the influence of various parameters on the adsorption efficiency was examined. The study revealed that an adsorbent mass of 0.08 g could achieve a removal efficiency of 94.2 % for TC at an initial concentration of 50 mg/L within 90 min, with the removal rate remaining at 72.6 % after four cycles of adsorption-desorption. It was also found that the adsorption mechanism was consistent with the Freundlich isothermal model and the pseudo-second-order kinetic model. The exceptional adsorption properties were primarily ascribed to the synergistic effects of electrostatic interactions, pore filling, chelation and hydrogen bonding interactions between Fc-LDHs and TC. Simultaneously, the antibacterial rates of Fc-LDHs reached to 90.3 % and 95.7 % against <em>Escherichia coli (E. coli)</em> and <em>Staphylococcus aureus (S. aureus)</em>, respectively. In conclusion, Fc-LDHs proved to be a highly efficient remedy for addressing antibiotic and antibacterial pollution, functioning both as a proficient adsorbent and antibacterial agent.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140583"},"PeriodicalIF":4.0,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Insight from molecular modeling and ADMET analysis: Design, synthesis and in vitro acetylcholinesterase and butyrylcholinesterase assessment of thiazolidinone containing benzoxazole hybrids derivatives","authors":"Rafaqat Hussain ,&nbsp;Muhammad Irfan Afridi ,&nbsp;Shoaib Khan ,&nbsp;Yousaf Khan ,&nbsp;Tayyiaba Iqbal ,&nbsp;Liaqat Rasheed ,&nbsp;Mohammad Shahidul Islam ,&nbsp;Kholood A. Dahlous","doi":"10.1016/j.molstruc.2024.140589","DOIUrl":"10.1016/j.molstruc.2024.140589","url":null,"abstract":"<div><div>Alzheimer's disease (AD) is a brain disorder medically defined as loss of memory and analytical reasoning abilities of an infected person. The adult or aged peoples are more likely to be adversely affected by this disease. Following this prospect, this study is conducted to synthesize a novel class of (Z)-2-(((Z)-2-(benzo[d]oxazol-2-ylthio)-1-phenylethylidene)hydrazono)-3-phenylthiazolidin-4-one based derivatives and evaluate its performance towards the treatment of AD. This study showed the better results when compared to the inhibition potential of the standard drug Donepezil against AChE (IC₅₀= 4.10 ± 1.05 µM) and against BuChE (IC₅₀=6.59 ± 1.63 µM), the inhibition potential shown by benzimidazole based thiadiazole scaffolds against the targeted enzymes is of wide range. The inhibition potential of all the scaffolds against AChE ranged from 2.89 ± 0.65 µM to 19.04 ± 0.49 µM and against BuChE ranged from 3.70 ± 0.98 µM to 23.19 ± 0.71 µM. Moreover, to investigate the binding interaction of effective scaffolds against the active sites of AChE and BuChE, molecular docking studies were carried out and the analysis data evaluated the substantial binding interaction of scaffolds against the targeted enzymes. The structural characteristic of each scaffold is determined by using different spectroscopic techniques. In this work only three analogues found to be the most active having the observed IC₅₀ values 7d, 3.05 ± 0.19 µM, 2.90 ± 0.87 µM(for BuChE), 7g, 3.88 ± 0.32 µM(for AChE), 4.98 ± 0.54 µM(for BuChE), 7k 2.89 ± 0.65 µM(for AChE), 3.70 ± 0.98 µM(for BuChE). Furthermore, the selected analogues considered for <em>In-Vivo</em> and cytotoxic study as well as structure modification carried out in search of more active analogues.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140589"},"PeriodicalIF":4.0,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Construction of a new ionic Co(II) coordination polymer and its composite with CNTs showing dual electrochemical sensing to AA and Fe3+","authors":"Si-Wei Zong,&nbsp;Yuan-Wen Yang,&nbsp;Ju Xie,&nbsp;Wan-Wan Yang,&nbsp;Kou-Lin Zhang","doi":"10.1016/j.molstruc.2024.140491","DOIUrl":"10.1016/j.molstruc.2024.140491","url":null,"abstract":"<div><div>A new ionic cobalt(II) chain coordination polymer, {[Co(bbbm)(H₂O)₄]·ATBIP·2DMA·2H₂O}_n (Co-CP) with the multi-functional 5-amino-2,4,6-tribromoisophthalic acid (H₂ATBIP) and flexible linker 1, 4-bis(benzimidazole-1-methyl)benzene (bbbm) was prepared with convenient slow evaporation method. Moreover, its composite with hydroxyl carbon nanotubes (CNTs) (Co-CP@CNTs) was constructed by “one pot” synthesis. Co-CP further assembles into a 3D supramolecular framework with 1D channels with the aid of the hydrogen-bonded tape. The amperometric response demonstrates that Co-CP/GCE and Co-CP@CNTs/GCE show sensitive and selective electrochemical oxidation sensing to ascorbic acid (AA) and reduction sensing to Fe³⁺ in 0.1 M H₂SO₄, respectively. Moreover, Co-CP@CNTs exhibits better electrocatalytic capability for the oxidation sensing of AA and reduction sensing of Fe³⁺ than that of Co-CP. Remarkably, the strategy was successfully applied in the portable screen-printed electrode (SPE). Among three electrodes, the Co-CP@CNTs/SPE shows the most rapid and sensitive sensing with the largest exponential range of 0.01 - 26 mM for AA and 0.01 - 21 mM for Fe³⁺, respectively. The limits of detection (LOD) reach to 0.74 μM (AA) and 0.96 μM (Fe³⁺) for Co-CP@CNTs/GCE, 0.32 μM (AA) and 0.91 μM (Fe³⁺) for Co-CP@CNTs/SPE, respectively. Furthermore, the portable Co-CP@CNTs/SPE has been successfully used as a platform for the practical detection of AA and Fe³⁺ in the real-world samples.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140491"},"PeriodicalIF":4.0,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142587102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and spectroscopic characterization of 2-furancarbothioamide: N-(4-fluorophenyl)furan-2-carbothioamide","authors":"Jessica Cardona López ,&nbsp;José Osvaldo Guy Lezama ,&nbsp;Sergio Mauricio Bonesi ,&nbsp;Norma Lis Robles","doi":"10.1016/j.molstruc.2024.140510","DOIUrl":"10.1016/j.molstruc.2024.140510","url":null,"abstract":"<div><div>This investigation deals with an alternative thionation synthetic strategy for the preparation of N-(4-fluorophenyl)furan-2-carbothioamide using elemental sulphur and applying the Willgerodt-Kindler reaction. The carbothioamide was obtained with <em>ca</em> 30 % yield assessing the purity (higher than 90 %) with GC/MS spectrometry, and the compound was fully characterised by NMR (¹H, ¹³C), FTIR and UV–visible spectroscopies. Indeed, ¹H NMR spectroscopic analysis demonstrated that a single conformer with <em>anti-anti</em> geometry was formed attributed to the observation of only one N-H signal (9.37 ppm) of the NH-C=S group and, FTIR spectroscopy (N-H stretching at 3372 cm⁻¹) also reinforces this observation. UV-visible absorption and fluorescence emission spectra were recorded in different polar and nonpolar solvents (acetonitrile, ethanol and <em>n</em>-heptane) and the λ^0,0 cross point displays a bathochromic shift of 11 nm with the increasing solvent polarity. The fluorescence quantum yield (ϕ_f) has been measured at room temperature concluding that this carbothioamide derivative is not a fluorescent compound showing a ϕ_f value of 0.0002. Finally, theoretical calculations have been carried out to estimate the NMR chemical shifts as well as vibrational frequencies values of the <em>anti-anti</em> isomer and these values were compared with the experimental data obtaining satisfactorily correlations.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140510"},"PeriodicalIF":4.0,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Grafting of cinchonine onto rice husk nanosilica and its potential application in the synthesis of 2‐arylideneindan‐1,3‐diones and 2‐arylidene-5,5-dimethyl-1,3-cyclohexanedione","authors":"Samaneh Noori ,&nbsp;Ali Reza Kiasat ,&nbsp;Roya Mirzajani","doi":"10.1016/j.molstruc.2024.140566","DOIUrl":"10.1016/j.molstruc.2024.140566","url":null,"abstract":"<div><div>In this study, an eco-friendly and green procedure for Knoevenagel condensation reaction of aromatic aldehydes with indan-1,3-dione and dimedone was reported utilizing a rice husk silica‐anchored cinchonine nanocomposite as a heterogeneous catalyst in aqueous media. Without the need for an additional surfactant, rice husk was utilized as a raw material to create nanosilica. Through the grafting of 3-mercaptopropyl) trimethoxysilane, the rice husk nanosilica was modified. Next, azobisisobutylonitrile initiator was used to trigger the thiol-ene free radical interaction of the SH groups with the Cinchonine's alkene function. The morphology and structure of the nano SiO₂-S-cinchonine were characterized using fourier transform infrared spectra, field emission scanning electron microscope, and energy-dispersive X-ray spectroscopy. The catalytic activity of the nanocomposite was investigated in the synthesis of 2-arylideneindan-1,3-diones and 2-arylidene-5,5-dimethyl-1,3-cyclohexanedione through an aqueous medium at 80 °C by the Knoevenagel condensation reaction. The advantages of this method are simple methodology, high yields, easy work-up, and green solvent.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140566"},"PeriodicalIF":4.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Five novel Pb/Zn/Co metal-organic frameworks using 1,4-bis(3-pyridyl)-2,3-diaza-1,3-butadiene and carboxylate ligands: Synthesis, characterization, DFT calculation and catalytic PMS degradation of RhB","authors":"Nanhao Jin ,&nbsp;Yuqi Liu ,&nbsp;Tong Yan ,&nbsp;Qi Wang ,&nbsp;Xinying Wang ,&nbsp;Yuebin Feng ,&nbsp;Huilong Luo ,&nbsp;Wei Li","doi":"10.1016/j.molstruc.2024.140478","DOIUrl":"10.1016/j.molstruc.2024.140478","url":null,"abstract":"<div><div>Five new metal-organic frameworks (MOFs), namely {Pb(atpt)(3-bpd)_0.5}_n (<strong>1</strong>); {Co(cbz)₂(3-bpd)(H₂O)₂·2H₂O}_n (<strong>2</strong>); {Co(imdc)(3-bpd)(H₂O)·H₂O}_n (<strong>3</strong>); {Co(tdca)(3-bpd)(H₂O)₂·DMF}_n (<strong>4</strong>); {Zn(tdca)(3-bpd)(H₂O)₂·DMF}_n (<strong>5</strong>), were assembled with metal ions Pb²⁺, Zn²⁺, and Co²⁺ using 1,4-bis(3-pyridyl)-2,3-diaza-1,3-butadiene (3-bpd) as the main ligand, combined with 2-aminoterephthalic acid (H₂atpt), 4-cyanobenzoic acid (Hcbz), 4,5-imidazoledicarboxylic acid (H₂imdc), and thiophene-2,5-dicarboxylic acid (H₂tdca) as auxiliary ligands via hydro/solvothermal methods. Their molecular structures were analyzed by single-crystal X-ray diffraction and characterized by FT-IR and PXRD. Complex <strong>1</strong> has a three-dimensional structure with a hepta-coordinated, semi-directed {PbNO₆} metal center. The central metal ions in complexes <strong>2</strong>–<strong>5</strong> exhibit a six-coordinated {MN₂O₄} (M = Co or Zn) octahedral geometry. In complex <strong>2</strong>, the carboxylate ligand does not function as a bridging ligand, resulting in a 1D chain structure, while complexes <strong>3</strong>- <strong>5</strong> extend into 2D layered structures. Thermogravimetric analysis indicates good thermal stability for complexes <strong>1</strong>–<strong>5</strong>. Then, the prepared complexes were used as catalysts to degrade Rhodamine B (RhB) during the monopersulfate (PMS) activation. Complexes <strong>3</strong> and <strong>4</strong> demonstrated significant efficiency, achieving degradation rates of 93.61 % and 98.56 % within 10 min. Radical scavenging experiments and EPR analysis identified that the activation of PMS for dye degradation by the two catalysts occurs through both radical and non-radical pathways, with SO₄^•− and •OH radicals being the dominant species. Density functional theory (DFT) calculations explained the superior catalytic performance of complex <strong>4</strong> compared to complex <strong>3</strong>.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140478"},"PeriodicalIF":4.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A PET based colorimetric/fluorescent dual-signal probe for selective detection of hypochlorite in real water samples","authors":"Yingzhen Zhang ,&nbsp;Juan Liu ,&nbsp;Jun Xiao ,&nbsp;Fu Li ,&nbsp;Kunming Liu ,&nbsp;Min Yang ,&nbsp;Jinbiao Liu","doi":"10.1016/j.molstruc.2024.140568","DOIUrl":"10.1016/j.molstruc.2024.140568","url":null,"abstract":"<div><div>As a potent oxidizing agent, hypochlorite is pervasive across various terminal disinfection processes, including water treatment, household blenching and medical sterilization. Thus, the specific visualization identification of hypochlorite in real water samples is crucial for assessing water quality safety and pollutant toxicity. Herein, a novel turn-on colorimetric/fluorescent dual-signal probe <strong>AMXM</strong> based on 6‑methoxy-2,3-dihydro-1<em>H</em>-xanthene-4-carboxaldehyde scaffold has been successfully designed and synthesized for highly selective and sensitive detection of ClO⁻ in real water sample. Upon the addition of hypochlorite, the solution's color visibly changes from red to yellow to the naked eye, and a strong yellowish green fluorescence is observed under UV light at 365 nm. <strong>AMXM</strong> demonstrates an excellent linear response (R² = 0.9922), with a low detection limit of 56.2 nM, and is unaffected by other potential interfering substances. The mechanism of <strong>AMXM</strong>’s response to hypochlorite ions was confirmed through ¹H NMR spectroscopy and density functional theory (DFT) calculations. Furthermore, <strong>AMXM</strong> was successfully applied to paper test strips and used for the quantitative determination of hypochlorite ions in four real water samples.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140568"},"PeriodicalIF":4.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142587095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Utilizing bicyclohexene as a building block: A promising approach to achieve negative liquid crystals with lower melting points","authors":"Danyang Wan ,&nbsp;Lingchao Mo ,&nbsp;Zhaoyi Che ,&nbsp;Juanli Li ,&nbsp;Minggang Hu ,&nbsp;Lexuan Liang ,&nbsp;Zhongwei An ,&nbsp;Jian Li","doi":"10.1016/j.molstruc.2024.140542","DOIUrl":"10.1016/j.molstruc.2024.140542","url":null,"abstract":"<div><div>Two series of novel negative mesogens based on bicyclohexene were designed and synthesized. All of the obtained mesogens possessed liquid crystalline phases ranging from 32 to 87 °C and the introduction of 2-fluoroethoxy decreased the mesophase ranges. The representative compounds <strong>7b</strong> and <strong>9b</strong> had significantly lower melting points than their corresponding reference compounds based on conventional cores, illustrating the effectiveness of bicyclohexene building block in lowering the melting points of negative mesogens. The dielectric anisotropy and birefringence values of the novel compounds were similar with their references, demonstrating that this new core does not significantly alter physical properties. Density functional calculation found that the geometries of compounds <strong>7b</strong> and <strong>9b</strong> were similar to those of their references, indicating that this new core would not substantially change the geometries of the mesogens. Three viewpoints of calculated ground states of compounds <strong>7b</strong> and <strong>9b</strong> pointed out that the orientation of the fluorine on the 2-fluoroethoxyl was similar to that of the 2,3-difluoro groups on the main skeleton, which contributes to the increase of negative dielectric anisotropy values.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140542"},"PeriodicalIF":4.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142587103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A novel porous Zn-MOF based on binuclear metal clusters for fluorescence detection of Cr(VI) and adsorption of dyes","authors":"Yang-Tian Yan ,&nbsp;Xu-Dong Fan ,&nbsp;Jia-Lei Lu ,&nbsp;Zheng-Hua Yang ,&nbsp;Yi-Bo Zhang ,&nbsp;Yun-Long Wu ,&nbsp;Wen-Yan Zhang ,&nbsp;Yao-Yu Wang","doi":"10.1016/j.molstruc.2024.140553","DOIUrl":"10.1016/j.molstruc.2024.140553","url":null,"abstract":"<div><div>A novel <strong>Zn-MOF</strong>: {[Zn₃(L)₂(H₂O)₄]·(H₂O)₃·(CH₃CN)₃}_n was synthesized from tricarboxylate pyridine ligand 3-(2,4-dicarboxyphenyl) -4-carboxypyridine (H₃ L) under solvothermal conditions. <strong>Zn-MOF</strong> was a three-dimensional porous framework composed of binuclear metal cluster [Zn₂(COO)₃ N] and a variety of metal oxygen chains. The fluorescence study of <strong>Zn-MOF</strong> indicated that the maximum emission peak is 449 nm (λex=335 nm), and it had varying degrees of quenching effect on Cr₂O₇²⁻and CrO₄²⁻ in water, the limits of detection are 4.29×10⁻⁴ M and 9.19×10⁻⁵ M, respectively. It also showed good recycling ability, which was a potential multi-functional anion fluorescence probe material. In addition, the dye adsorption and separation experiments of <strong>Zn-MOF</strong> showed that it can adsorb MB⁺ and MG⁺, but almost no adsorption for MO⁻, and can effectively separate MB⁺ and MG⁺ from the mixed solution of MB⁺/MO⁻ and MG⁺/MO⁻. It was a potential multi-functional material for the capacity to selectively separate cationic dyes from anionic and cationic mixed solutions, as well as selective recognition of Cr₂O₇²⁻and CrO₄²⁻anions.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140553"},"PeriodicalIF":4.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Construction of an eight-coordinated Dy(III) complex with zero-field slow magnetic relaxation by using an equatorial sexadentate N4O2 donor ligand","authors":"Rui Liu ,&nbsp;Hong Li ,&nbsp;Pengfei Tan ,&nbsp;Shaojun Zheng ,&nbsp;Shu-Yang Chen ,&nbsp;Yi-Quan Zhang ,&nbsp;Ulli Englert ,&nbsp;Lei Chen","doi":"10.1016/j.molstruc.2024.140572","DOIUrl":"10.1016/j.molstruc.2024.140572","url":null,"abstract":"<div><div>An air-stable mononuclear Dy(III) single molecule magnet [Dy(L)(F₅PhO)₂](BPh₄) (<strong>1</strong>) was synthesized using the equatorial sexadentate ligand N,N′-bis-pyridin-2-yl-methylene-1,8-diamino-3,6-dioxaoctane (L) and the axial ligand pentafluorophenoxide (F₅PhO^-). Complex <strong>1</strong> shows zero-field slow magnetic relaxation behavior. When a 200 Oe direct field was applied, two slow relaxation processes were observed for <strong>1</strong>; they are caused by intermolecular dipole interactions and moment reversal. An additional magnetic dilution experiment resulted in a material with a single slow relaxation and an energy barrier of 76(8) K, indicating that quantum tunneling of the magnetization (QTM) induced by intermolecular dipolar interactions was suppressed.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1322 ","pages":"Article 140572"},"PeriodicalIF":4.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}