Inorganica Chimica Acta最新文献

英文中文

Zn(II)-based mechanically flexible metallosupramolecular network: Investigating rheology, morphology, anti-bacterial effect and semiconducting device performances 基于锌（II）的机械柔性金属超分子网络：流变学、形态学、抗菌效果和半导体器件性能研究

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-21 DOI: 10.1016/j.ica.2024.122413

Synthesis of supramolecular Zn(II)-metallogel of succinic acid with N,N′-dimethyl formamide (DMF) solvent has been explored in this present study. Succinic acid is used as a low molecular weight gelator (LMWG) and DMF acts as a metallogel-immobilized solvent-media. Mechanical flexibility, viscous, and elastic behaviours of the metallogel are characterized by exhaustive rheological experiments. Different rheological parameters like storage modulus (G′) and loss modulus (G″) are evaluated for certain regions of shear strain and angular frequency. The morphological decoration of xerogel material obtained from Zn(II)-based metallosupramolecular gel (i.e., Zn-Succinic) has been visualized through field emission scanning electron microscope (FESEM). Energy dispersive X-ray analysis (EDX) verifies the active involvement of metallogel-forming chemical constituents. The flexible metallosupramolecular scaffold-construction strategy has been unveiled through infrared spectroscopic data and ESI-Mass investigations. The antibacterial potency of Zn(II)-directed metallogel has also been verified against several Gram-positive bacteria (i.e., Bacillus cereus (ATCC 13061), Bacillus subtilis (MTCC 121), Listeria monocytogenes (MTCC 657), Staphylococcus aureus (MTCC 96)), and two Gram-negative bacterial strains (i.e., Salmonella typhimurium (MTCC 98) and Escherichia coli (MTCC 1667)). Even, Zn-Succinic metallogel exhibits Schottky diode behaviour with a significant non-linear rectifying nature in I-V curve, proving the semiconducting diode features with electrical parameters.

本研究探讨了用 N,N′-二甲基甲酰胺（DMF）溶剂合成琥珀酸超分子锌（II）金属凝胶。琥珀酸被用作低分子量凝胶剂（LMWG），而 DMF 则充当金属凝胶的固定溶剂介质。通过详尽的流变学实验对金属凝胶的机械柔韧性、粘性和弹性行为进行了表征。针对剪切应变和角频率的特定区域评估了不同的流变参数，如存储模量（G′）和损耗模量（G″）。通过场发射扫描电子显微镜（FESEM）观察了从锌（II）基金属超分子凝胶（即锌-琥珀酸）中获得的异凝胶材料的形态装饰。能量色散 X 射线分析（EDX）证实了金属凝胶形成化学成分的积极参与。通过红外光谱数据和 ESI-Mass 研究，揭示了灵活的金属超分子支架构建策略。Zn(II)-directed 金属凝胶对几种革兰氏阳性细菌（即：蜡样芽孢杆菌（ATCC）、痢疾杆菌（ATCC）、嗜酸杆菌（ATCC））的抗菌效力也得到了验证、蜡样芽孢杆菌（ATCC 13061）、枯草芽孢杆菌（MTCC 121）、李斯特菌（MTCC 657）、金黄色葡萄球菌（MTCC 96））和两种革兰氏阴性细菌（鼠伤寒沙门氏菌（MTCC 98）和大肠杆菌（MTCC 1667））。此外，锌-琥珀酰金属凝胶还表现出肖特基二极管行为，其 I-V 曲线具有明显的非线性整流特性，证明了半导体二极管的电气参数特征。

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引用次数: 0

A multifunctional metal–organic complex fluorescent probe for highly sensitive detection of lysine, CrO42-/Cr2O72-, Fe3+ and nitro-aromatic compounds 用于高灵敏度检测赖氨酸、CrO42-/Cr2O72-、Fe3+ 和硝基芳香族化合物的多功能金属有机络合物荧光探针

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-21 DOI: 10.1016/j.ica.2024.122415

Water contamination caused by organic and inorganic compounds represents an urgent global issue. It is meaningful to detect these compounds. A metal–organic complex (Zn-HTBA) was investigated as a multifunctional fluorescent probe which showed exceptional fluorescence characteristics. The Zn- HTBA can specifically detect lysine in water through fluorescence enhancement, and the detection limit was 0.17 μM. The Zn-HTBA also selectively detect CrO₄^2-/Cr₂O₇^2- and Fe³⁺ with the detection limits of 0.014/0.022 and 0.12 μM through fluorescence quenching. In addition, the Zn-HTBA was found to sensitively detect nitroaromatic compounds in ethanol through fluorescence quenching. The possible detection mechanisms were studied in detail through UV–Vis, PXRD, XPS, etc. The mechanism of Zn-HTBA to detect CrO₄^2-/Cr₂O₇^2-, Fe³⁺ and 2-nitrotoluene was energy competition, and the mechanism of Zn-HTBA to detect lysine was the formation of hydrogen bonds.

有机和无机化合物造成的水污染是一个紧迫的全球性问题。检测这些化合物非常有意义。研究人员将一种金属有机复合物（Zn-HTBA）作为多功能荧光探针进行了研究。Zn-HTBA 可通过荧光增强作用特异性地检测水中的赖氨酸，检测限为 0.17 μM。Zn-HTBA 还能通过荧光淬灭选择性地检测 CrO42-/Cr2O72- 和 Fe3+，检测限分别为 0.014/0.022 和 0.12 μM。此外，研究还发现 Zn-HTBA 能通过荧光淬灭灵敏地检测乙醇中的硝基芳香族化合物。通过 UV-Vis、PXRD、XPS 等对可能的检测机制进行了详细研究。Zn-HTBA 检测 CrO42-/Cr2O72-、Fe3+ 和 2-硝基甲苯的机理是能量竞争，而 Zn-HTBA 检测赖氨酸的机理是形成氢键。

引用次数: 0

Activation of persulfate by MOF-derived MnFeOx to efficiently degrade sulfadiazine: Synergistic effects from free radicals and singlet oxygen 由 MOF 衍生的氧化锰铁氧体活化过硫酸盐，从而高效降解磺胺嘧啶：自由基和单线态氧的协同效应

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-19 DOI: 10.1016/j.ica.2024.122407

In this study, a facile hydrothermal approach was used to synthesize the MOFs materials [Mn-doped MIL-101(Fe)]. These materials were subsequently subjected to high temperature annealing process via calcination to generate the MOFs derivatives (MnFeO_x). The synthesized materials were utilized for the removal of sulfadiazine (SDZ) removal through activated peroxymonosulfate (PMS). At the optimum Mn doping, the removal ratio of SDZ could reach 98.9 % (at natural pH) within 20 min. In addition, the study investigated the influence of PMS dosage, catalyst dosage, initial pH, various inorganic anions, and humic acid (HA) on the degradation of SDZ. The activation processes of both free and non-free radicals in the MnFeO_x/PMS system were examined by free radical quenching experiments and electron paramagnetic resonance (EPR) techniques. The analysis of the degradation products of SDZ was conducted by using high performance liquid chromatography-mass spectrometry (HPLC-MS), and the breakdown pathways of SDZ in the MnFeO_x/PMS system were proposed.

本研究采用简便的水热法合成了 MOFs 材料 [掺锰 MIL-101(Fe)]。这些材料随后通过煅烧进行高温退火处理，生成 MOFs 衍生物（MnFeOx）。合成的材料被用于通过活化过一硫酸盐（PMS）去除磺胺嘧啶（SDZ）。在最佳锰掺杂条件下，20 分钟内对 SDZ 的去除率可达 98.9%（自然 pH 值）。此外，该研究还考察了 PMS 用量、催化剂用量、初始 pH 值、各种无机阴离子和腐植酸（HA）对 SDZ 降解的影响。通过自由基淬灭实验和电子顺磁共振（EPR）技术考察了 MnFeOx/PMS 体系中自由基和非自由基的活化过程。利用高效液相色谱-质谱联用技术分析了 SDZ 的降解产物，并提出了 SDZ 在 MnFeOx/PMS 体系中的分解途径。

引用次数: 0

AIE active Schiff base derived Pd(II) complex as a ratiometric sensor for fluoride ion 作为氟离子比率传感器的 AIE 活性席夫碱衍生钯（II）配合物

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-15 DOI: 10.1016/j.ica.2024.122411

A tripodal AIE active Schiff base (L4) was synthesized and utilized along with pyridine for the synthesis of Pd(II) metal complex (MH1) using a two-step process. X-ray diffraction studies were performed to establish the molecular geometry of the synthesized ligand (L4) and its metal complex (MH1), which revealed square planar geometry for the Pd(II) complex. DFT studies revealed a reduction in HOMO-LUMO gap upon complexation of the ligand with Pd(II) ion. The compound L4 displayed aggregation induced emission and viscosity induced emission enhancement was observed in MH1. The developed metal complex was utilized for the sensitive and selective recognition of F⁻ ion through a ligand exchange reaction. A ratiometric “turn-off” response along with colorimetric change are the characteristic features of the Pd(II) complex (MH1). The probe revealed a binding constant of 1.4 * 10⁷ M⁻¹ as calculated using Benesi-Hildebrand equation. Moreover, the binding stoichiometry in the MH1-F⁻ complex was found to be 1:1. The sensing mechanism was established using mass spectrometry as the presence of fluoride incorporated complex was noticed. The structure of the resulting complex was also established using DFT based studies.

通过两步法合成了三足 AIE 活性席夫碱 (L4)，并将其与吡啶一起用于合成钯（II）金属配合物 (MH1)。为了确定合成配体（L4）及其金属配合物（MH1）的分子几何形状，对其进行了 X 射线衍射研究。DFT 研究表明，配体与钯（II）离子络合后，HOMO-LUMO 间隙减小。化合物 L4 显示出聚集诱导发射，在 MH1 中观察到粘度诱导发射增强。所开发的金属复合物通过配体交换反应被用于灵敏、选择性地识别 F 离子。钯（II）配合物（MH1）的特点是具有比率 "关断 "反应和比色变化。根据贝内西-希尔德布兰德方程计算，该探针的结合常数为 1.4 * 107 M-1。此外，还发现 MH1-F- 复合物的结合比例为 1:1。由于发现了氟化物掺杂复合物的存在，因此利用质谱法确定了传感机制。此外，还利用基于 DFT 的研究确定了所得复合物的结构。

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引用次数: 0

Redox reaction of a RuIII(pic)3 complex with cysteine: Spectral, kinetic and biological studies RuIII(pic)3 复合物与半胱氨酸的氧化还原反应：光谱、动力学和生物学研究

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-15 DOI: 10.1016/j.ica.2024.122401

The kinetics of the reduction of [Ru^III(pic)₃] (pic⁻ = picolinate) with cysteine leading to the formation of the corresponding red coloured [Ru^II(pic)₃]⁻ complex (λ_max = 466 nm, ε_max = 12,000 M⁻¹ cm⁻¹) was studied by using stopped-flow and rapid scan spectrophotometry. The time course of the reaction was followed at 466 nm as a function of cysteine concentration, pH and temperature. Kinetic data (k = 291 ± 4 M⁻¹ s⁻¹ at 25 °C and pH 8.4) and activation parameters (ΔH^≠ = 36 ± 1 kJ mol⁻¹ and ΔS^≠ = −78 ± 3 J mol⁻¹ deg⁻¹) are interpreted in terms of a mechanism involving rate-determining outer-sphere electron transfer between Ru(III) and the cysteine. Inhibition of bacterial growth (Klebsiella pneumonia and Staphylococcus aureus) by the [Ru^III(pic)₃] complex both in absence and presence of cysteine has been examined, and the results show a positive effect of cysteine addition on the anti-bacterial activity of the complex for S. aureus.

采用停流和快速扫描分光光度法研究了[RuIII(pic)3]（pic- = picolinate）与半胱氨酸还原形成相应的红色[RuII(pic)3]-复合物（λmax = 466 nm，εmax = 12,000 M-1 cm-1）的动力学。在 466 纳米波长处跟踪了反应的时间进程与半胱氨酸浓度、pH 值和温度的函数关系。动力学数据（k = 291 ± 4 M-1 s-1，温度为 25 °C，pH 值为 8.4）和活化参数（ΔH≠ = 36 ± 1 kJ mol-1 和 ΔS≠ = -78 ± 3 J mol-1 deg-1）被解释为涉及 Ru（III）和半胱氨酸之间决定速率的外层电子转移机制。研究还考察了[RuIII(pic)3]复合物在无半胱氨酸和有半胱氨酸存在的情况下对细菌（肺炎克雷伯氏菌和金黄色葡萄球菌）生长的抑制作用，结果表明添加半胱氨酸对该复合物对金黄色葡萄球菌的抗菌活性有积极影响。

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引用次数: 0

Synthesis and characterization of 3,5-bis((2-hydroxybenzylidene)amino)-N-(2-hydroxyphenyl)benzamide and Zn(II) complex: Investigation of chromic, fluorescence and DPPH radical scavenging behaviours 3,5-双((2-羟基亚苄基)氨基)-N-(2-羟基苯基)苯甲酰胺和 Zn(II) 复合物的合成与表征：色度、荧光和 DPPH 自由基清除行为的研究

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-15 DOI: 10.1016/j.ica.2024.122410

Novel amido-Schiff base 3,5-bis((2-hydroxybenzylidene)amino)-N-(2-hydroxyphenyl)benzamide (2a) has been obtained by the reaction of Schiff base 1a with 2-hydroxyaniline in the presence of coupling agent N,N′-dicyclohexylcarbodiimide. Schiff base (1a) which serves as the starting compound in amide synthesis was produced from the condensation of 3,5-diaminobenzoic acid with salicylaldehyde in a 1:2 mol ratio. Tetrahedral geometry with 1:1 [M:L] stoichiometry Zn(II) complex (3a) was newly synthesized by the complexation reaction of ligand 2a with zinc(II) nitrate. 1a and 2a displayed a broad emission band at λ_em = 456 and 472 nm with a blue fluorescent in pure DMSO, while 3a emitted a strong greenish-blue fluorescent with the λ_em = 485 nm (λ_exc = 365 nm). The fluorescence efficiency of 1a was poor compared to the others. The λ_em in aqueous DMSO solution (v/v, 1:1) had ∼8–33 nm red-shift with respect to that of pure solution. The λ_em gave ∼1–15 nm red-shift with very low emission efficiency in acidic DMSO media. The results suggested that the aggregation caused quenching properties of 1a–3a in pure, aqueous, and acidic DMSO system with a 50 % water fraction. The fluorescence of the compounds appeared to be visibly very bright in basic DMSO media. All the compounds were also screened for antioxidant activity using UV–Vis spectroscopy. They were found to be not effective DPPH radical scavengers in DMSO.

在偶联剂 N,N′-二环己基碳二亚胺的存在下，通过希夫碱 1a 与 2-羟基苯胺的反应，得到了新型氨基希夫碱 3,5-双((2-羟基苯亚甲基)氨基)-N-(2-羟基苯基)苯甲酰胺 (2a)。作为酰胺合成起始化合物的希夫碱（1a）是由 3,5-二氨基苯甲酸与水杨醛以 1:2 的摩尔比缩合而成。配体 2a 与硝酸锌（II）发生络合反应，新合成了具有 1:1 [M:L] 配比的四面体锌（II）络合物（3a）。在纯二甲基亚砜中，1a 和 2a 在 λem = 456 和 472 nm 处显示出宽广的发射带，并发出蓝色荧光，而 3a 在 λem = 485 nm 处发出强烈的绿蓝色荧光（λexc = 365 nm）。与其他物质相比，1a 的荧光效率较低。在二甲基亚砜水溶液（v/v，1:1）中的λem 与纯溶液相比有 8-33 nm 的红移。在酸性 DMSO 介质中，λem 的红移为 1-15 nm，发射效率非常低。结果表明，1a-3a 在纯水和酸性 DMSO（含 50% 水分）体系中的聚集导致了淬灭特性。在碱性 DMSO 介质中，化合物的荧光显得非常明亮。还利用紫外可见光谱对所有化合物的抗氧化活性进行了筛选。结果发现，这些化合物在 DMSO 中不是有效的 DPPH 自由基清除剂。

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引用次数: 0

Synthesis, Characterization, Crystal structure determination and DFT study of a six coordinated Cu (II) complex of a phosphorous based tris-(2-pyridinylamino) phosphene sulphide ligand and its acid catalysed hydrolysis 磷基三（2-吡啶氨基）硫膦配体的六配位 Cu (II) 复合物及其酸催化水解的合成、表征、晶体结构测定和 DFT 研究

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-14 DOI: 10.1016/j.ica.2024.122408

One mono nuclear copper(II) complex (Cu-TPPS-OOCCH₃ with structural formula C₁₇H₁₉CuN₆O₃PS) is synthesized using a novel tripodal tetradentate ligand, tris-(2-pyridinylamino)phosphene sulphide (TPPS), which has three pyridinylamino groups attached to a phosphorus atom connected to a sulphur atom (PS). The equatorial positions of the complex are occupied by three amino N-atoms of three aminopyridyl groups and one O-atom of the acetate group. The apical position is occupied by other O-atom of acetate group and one secondary N-atom of the tripodal ligand. The complex has been synthesized and purified as green solid and characterized by various spectroscopic techniques and the structure has been determined by X-ray single crystal diffraction study. The geometry optimizations and calculations of energies of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the compounds are performed by using the hybrid B3LYP density functional theory (DFT) along with the def2TZVP basis set.

本研究利用一种新型三足式四价配体--三(2-吡啶基氨基)硫化磷（TPPS）合成了一种单核铜(II)配合物（Cu-TPPS-OOCCH3，结构式为 C17H19CuN6O3PS）。复合物的赤道位置由三个氨基吡啶基的三个氨基 N 原子和一个醋酸基的 O 原子占据。顶端位置由醋酸基团的另一个 O 原子和三元配体的一个仲 N 原子占据。该复合物已合成并纯化为绿色固体，并通过各种光谱技术进行了表征，其结构已通过 X 射线单晶衍射研究确定。利用混合 B3LYP 密度泛函理论（DFT）和 def2TZVP 基集对化合物的几何形状进行了优化，并计算了最高占有分子轨道（HOMO）和最低未占有分子轨道（LUMO）的能量。

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引用次数: 0

The crystal structures of Imine-Enamine ‘tautomerism’ in solid state and “turn on” sensing for Zn2+: spectroscopy, DFT and cell imaging studies 固态亚胺-埃米纳 "同分异构体 "的晶体结构和 Zn2+ 的 "开启 "传感：光谱学、DFT 和细胞成像研究

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-12 DOI: 10.1016/j.ica.2024.122404

The crystallographically established ligand 2-((E)-(benzyl imino)methyl)-4-bromophenol (HL) (existing keto at 296 K and enol at 120 K in the solid state), which is in equilibrium of interconversion (ΔE) = 4.39Kcal) with its tautomer, showed weak emission in the excited state, due to the fact of PET but in the presence of Zn²⁺, PET was blocked and chelation-enhanced fluorescence (CHEF) was set up. It exhibits 'turn on' sensor with the coordination of Zn²⁺. Among various metal ions, the synthesised probe HL selectively detected Zn²⁺ and LOD was about to ∼ 1.63 µM. The Zn(II) coordinated complex and the relative stabilities of the tautomers of HL were thoroughly calculated by spectroscopic and computational studies. Furthermore, cell imaging was also performed to validate the sensing property as well as cyto-toxicity of the probe.

晶体学上确定的配体 2-((E)-(苄基亚氨基)甲基)-4-溴苯酚（HL）（在固态下 296 K 时为酮态，120 K 时为烯醇态）与其同分异构体处于相互转化平衡（ΔE）= 4.但在 Zn2+ 的存在下，PET 会被阻断，从而产生螯合增强荧光（CHEF）。在 Zn2+ 的配合下，它显示出 "开启 "传感器。在各种金属离子中，合成的探针 HL 能选择性地检测 Zn2+，LOD 约为 1.63 µM。通过光谱和计算研究，对 HL 的 Zn（II）配位复合物和同系物的相对稳定性进行了深入计算。此外，还进行了细胞成像，以验证探针的传感特性和细胞毒性。

引用次数: 0

An overview of the synthesis, structure and different applications of hetero-nuclear complexes of different transition metals and sodium with salen type compartmental ligands 不同过渡金属和钠与萨伦型隔室配体的异核配合物的合成、结构和不同应用综述

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-10 DOI: 10.1016/j.ica.2024.122405

Salen-type compartmental ligands, prepared by the 1:2 condensation of a diamine and a salicylaldehyde derivative, have been used in the synthesis of a variety of hereto-nuclear complexes with several transition and non-transition metals. This review focuses light on the synthesis of different hetero-nuclear transition metal/Na complexes with these ‘salen type’ compartmental Schiff base ligands. The X-ray structures, properties and different applications of these complexes are also discussed. The less explored area is also highlighted.

通过二胺和水杨醛衍生物 1:2 缩合制备的沙仑型室配体已被用于合成多种过渡金属和非过渡金属的核络合物。本综述重点介绍了与这些 "水杨醛型 "隔室席夫碱配体合成不同异核过渡金属/Na 配合物的情况。此外，还讨论了这些配合物的 X 射线结构、性质和不同应用。此外，还重点介绍了探索较少的领域。

引用次数: 0

Formation of zinc tetraammine difluoride and dinitrate and conversion to zinc oxide and zinc hydroxyfluoride under ambient conditions 在环境条件下四胺二氟化锌和二硝酸锌的形成及其向氧化锌和羟基氟化锌的转化

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta

Pub Date : 2024-10-10 DOI: 10.1016/j.ica.2024.122402

The zinc tetraammine complexes [Zn(NH₃]₄]F₂ (ZAF) and [Zn(NH₃]₄](NO₃)₂ (ZAN) have been isolated from methanolic ammonia and characterized by single crystal X-ray diffraction and Raman spectroscopy. As determined from Raman data, the tetrahedral structure of the zinc tetraammine cation complex is sustained in solutions that contain high concentrations of ammonia. Dilution of ZAF or ZAN solutions in bulk water results in the deposition of ZnO as determined by X-ray powder diffraction (XRD). Lower dilution, as when aqueous ZAF is applied to wet surfaces, results in Zn(OH)F deposition as identified by XRD. These mineral products are readily obtained from zinc tetraammine solutions under ambient conditions and lend themselves to biomedical and materials applications.

我们从甲醇氨水中分离出了锌四胺络合物 [Zn(NH3]4]F2 (ZAF) 和 [Zn(NH3]4](NO3)2 (ZAN)，并利用单晶 X 射线衍射和拉曼光谱对其进行了表征。根据拉曼数据确定，锌四胺阳离子复合物的四面体结构在含有高浓度氨的溶液中得以维持。根据 X 射线粉末衍射（XRD）的测定，在散装水中稀释 ZAF 或 ZAN 溶液会导致氧化锌沉积。稀释程度较低时，如将ZAF水溶液涂抹在潮湿的表面上，则会出现 XRD 所确定的 Zn(OH)F 沉积。在环境条件下，很容易从四氨化锌溶液中获得这些矿物产品，并将其应用于生物医学和材料领域。

引用次数: 0

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