Polyhedron最新文献_第2页

Synthesis, structure and UV–vis characterization of arsenic(III) phthalocyanine obtained in iodine vapor: [(AsIIIPc)]2(I)2(As6I6) 碘气法制备砷（III）酞菁的合成、结构及紫外可见性表征[(AsIIIPc)]2(I)2（As6I6）

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-15 Epub Date: 2026-01-17 DOI: 10.1016/j.poly.2026.117962

Jan Janczak

The new arsenic (III) phthalocyanine complex [(As^IIIPc)₂(I)₂(As₆I₆) - (1) was obtained in a crystalline form by direct reaction of phthalonitrile with arsenic powder in an oxidation atmosphere of iodine vapor. This complex is a unique example of arsenic phthalocyanine complex in which in both parts of the complex the arsenic is in different oxidation state: As³⁺ in (AsPc)⁺ unit and As¹⁺ in a neutral molecule As₆I₆. In the crystal the arsenic phthalocyanine (AsPc)⁺ unit is non-planar, the arsenic(III) protrudes out of the cavity by 0.7699(12) Å, forming a saucer shape of Pc unit. The neutral, unique As₆I₆ molecule is centrosymmetric in which there are six As¹⁺ joined together to form a six-membered ring As₆I₆ in the chair conformation that is rendered dianionic As₆I₈²⁻ by the μ₃-iodide anions that cap both faces of the ring. The interaction between the building units of the crystal was analyzed using the Hirshfeld surface and the analysis of the 2D fingerprint plots. UV–Vis absorption spectra of 1 were taken in CH₂Cl₂ and toluene solutions in the concentration range from 8 × 10⁻⁵ to 10⁻⁶ mol/l. No significant changes related to aggregation in solutions were observed. The Q-band in toluene solution is red shifted by ∼10 nm in comparison to that in CH₂Cl₂ solution. Oxidation of [(As^IIIPc)I]₂(As₆I₆) yields As^VPc derivative. Both As^III and As^V phthalocyanine derivatives absorb near infrared light (600–900 nm) which should be intriguing with the point of view of potential use as photosensitizers for PDT and as an infrared cut filter for plasma display and silicon photodiodes as well as materials showing strong electron donors/acceptors properties.

在碘蒸气氧化气氛下，邻苯二腈与砷粉直接反应，制得新型砷（III）酞菁配合物[(AsIIIPc)2(I)2(As6I6) -(1)]。这个络合物是砷酞菁络合物的一个独特的例子，在络合物的两个部分中，砷处于不同的氧化态：As3+ in (AsPc)+单元和As1+ in中性分子As6I6。晶体中酞菁砷(AsPc)+单元是非平面的，砷（III）突出腔体0.7699（12）Å，形成碟状的Pc单元。中性的，独特的As6I6分子是中心对称的，其中有六个As1+连接在一起形成一个椅子构象的六元环As6I6，被覆盖在环两面的μ3-碘化物阴离子呈现为重阴离子As6I82 -。利用Hirshfeld曲面和二维指纹图谱分析了晶体结构单元之间的相互作用。在浓度为8 × 10−5 ~ 10−6 mol/l的CH2Cl2和甲苯溶液中测定了1的紫外-可见吸收光谱。未观察到溶液中聚集相关的显著变化。与CH2Cl2溶液相比，甲苯溶液中的q波段红移了约10 nm。[(AsIIIPc)I]2（As6I6）氧化得到AsVPc衍生物。AsIII和AsV酞菁衍生物都能吸收近红外光（600-900 nm），这对于作为PDT的光敏剂、等离子体显示器和硅光电二极管的红外切割滤波器以及显示出强电子给体/受体特性的材料的潜在用途来说应该是有趣的。

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引用次数: 0

Unraveling the multifunctional prospects of novel GaSiX3 (X = Cl, I) ternary perovskites for solar cells applications and green energy: A density functional theory approach 新型GaSiX3 （X = Cl， I）三元钙钛矿在太阳能电池和绿色能源应用中的多功能前景：密度泛函理论方法

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-15 Epub Date: 2026-01-24 DOI: 10.1016/j.poly.2026.117981

Abrar Nazir , Ali B.M. Ali , Ejaz Ahmad Khera , Muhammad Faizan , Awatif Alshamari , Dalia H. Elkamchouchi , Ramesh Sharma

In present work, we assessed the structural, electronic, optical, and charge transport features of novel GaSiX₃ (where X = Cl, I) perovskites using density functional theory, with a focus on their probable applications in optoelectronics and solar cells. We employed the formation energy, binding energy, tolerance factor, and the Murnaghan equation of state to confirm the structural and thermodynamic stability of the studied composites. The band structure and total density of states (TDOS) results indicate that the band gaps of 2.85 eV for GaSiCl₃ and 1.02 eV for GaSiI₃ have been observed, respectively. The partial density of states indicates that the contributions to the formation of the valence and conduction bands arise from the Ga-4p, Si-3p, Cl-3s, and I-5p energy states. Regarding optical behavior, GaSiI₃ is a good choice for optoelectronic and solar cell applications since it exhibits the greatest conductivity and absorption of electromagnetic radiation (156–553 nm) in the visible and ultraviolet regions. Using the BoltzTraP code, the thermoelectric properties of the perovskites under study have been computed. These findings regarding the thermoelectric parameters reveal that these composites are suitable for thermoelectric devices due to their higher electrical conductivity, power factor, and figure of merit values. The results of the composites being studied offer a new avenue for researchers to explore possible applications in solar cells and thermoelectric applications.

在目前的工作中，我们利用密度泛函理论评估了新型GaSiX3（其中X = Cl， I）钙钛矿的结构、电子、光学和电荷输运特征，重点研究了它们在光电子学和太阳能电池中的可能应用。利用形成能、结合能、容差因子和Murnaghan状态方程来验证复合材料的结构和热力学稳定性。能带结构和总态密度（TDOS）结果表明，GaSiCl3的能带隙为2.85 eV， GaSiI3的能带隙为1.02 eV。态的偏密度表明，Ga-4p、Si-3p、Cl-3s和I-5p能态对价带和导带的形成有贡献。在光学性能方面，由于GaSiI3在可见光和紫外区具有最大的导电性和对电磁辐射（156-553 nm）的吸收，因此它是光电和太阳能电池应用的良好选择。利用BoltzTraP程序，计算了所研究的钙钛矿的热电性质。这些关于热电参数的研究结果表明，由于这些复合材料具有更高的导电性、功率因数和性能值，因此适用于热电器件。正在研究的复合材料的结果为研究人员探索太阳能电池和热电应用的可能应用提供了新的途径。

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引用次数: 0

Polymeric silver(I) complex of a pyridine–1,2,3-Triazole ligand with potent cytotoxic and antibacterial activity 具有强细胞毒性和抗菌活性的吡啶- 1,2,3-三唑配体的聚合银(I)配合物

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-15 Epub Date: 2026-01-27 DOI: 10.1016/j.poly.2026.117989

Sümeyye Dilitatlı , Fatma Gül Özçelik Demirbanka , Vickie McKee , Muhammet Köse

1,2,3-Triazoles are privileged heterocyclic scaffolds with diverse pharmacological applications. Herein, we describe the synthesis, structural elucidation, and biological evaluation of a pyridine-substituted 1,2,3-triazole ligand (SM3) and its silver(I) coordination polymer (SM4). The triazole ligand was synthesized via Cu(I)-catalyzed azide–alkyne cycloaddition and characterized by FTIR, ¹H/¹³C NMR, mass spectra and elemental analysis. Complexation with AgNO₃ afforded a one-dimensional coordination polymer, as confirmed by single-crystal X-ray diffraction. SM3 crystallizes in the orthorhombic P2₁2₁2₁ space group, while SM4 adopts a polymeric chain architecture in the monoclinic C2/c system, with silver centers exhibiting distorted square-planar coordination via pyridine and triazole donors. Cytotoxicity was assessed using MTS assays against human chondrosarcoma (OUMS) and normal endothelial (HUVEC) cell lines. The Ag(I) complex (SM4) displayed pronounced cytotoxicity toward OUMS cells (IC₅₀ = 21.99 μg/mL), significantly exceeding the activity of cisplatin (IC₅₀ = 121.8 μg/mL), while demonstrating reduced toxicity toward HUVEC cells (IC₅₀ = 36.72 μg/mL). Antibacterial studies revealed that SM4 exhibited inhibitory effects against Escherichia coli, Klebsiella pneumoniae, Staphylococcus aureus, and Bacillus cereus with MIC values in the range 1.25–2.5 mg/mL, whereas SM3 was largely inactive. These results indicate that silver(I) coordination markedly enhances the bioactivity of pyridine–triazole ligands.

1,2,3-三唑是具有多种药理应用的特殊杂环支架。本文描述了一种吡啶取代的1,2,3-三唑配体（SM3）及其银(I)配位聚合物（SM4）的合成、结构解析和生物学评价。采用Cu(I)催化叠氮-炔环加成法制备了三唑配体，并用FTIR、1H/13C NMR、质谱和元素分析对其进行了表征。单晶x射线衍射证实，与AgNO3络合得到一维配位聚合物。SM3在正交P2₁2₁2₁空间群中结晶，而SM4在单斜C2/c体系中采用聚合链结构，银中心通过吡啶和三唑给体表现出扭曲的方平面配位。采用MTS法对人软骨肉瘤（OUMS）和正常内皮（HUVEC）细胞系进行细胞毒性评估。Ag(I)复合物（SM4）对OUMS细胞表现出明显的细胞毒性（IC50 = 21.99 μg/mL），明显超过顺铂（IC50 = 121.8 μg/mL），而对HUVEC细胞的毒性（IC50 = 36.72 μg/mL）有所降低。抑菌研究表明，SM4对大肠杆菌、肺炎克雷伯菌、金黄色葡萄球菌和蜡样芽孢杆菌均有抑制作用，MIC值在1.25 ~ 2.5 mg/mL之间，而SM3基本无活性。这些结果表明，银(I)配位显著提高了吡啶-三唑配体的生物活性。

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引用次数: 0

Tunable synthesis of silver nanoparticles using γ-cyclodextrins: Influence of reaction parameters on morphology and colloidal stability γ-环糊精可调合成纳米银：反应参数对形貌和胶体稳定性的影响

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-15 Epub Date: 2026-01-27 DOI: 10.1016/j.poly.2026.117990

Farrah Nurkhaliza , Muhammad Ridwan , Agustina Sus Andreani

In this research, silver nanoparticles (AgNPs) were synthesized through a chemical reduction pathway using γ-cyclodextrin (γ-CDs) as both reducing and stabilizing agents. The synthesis was conducted under systematically varied parameters, including pH, concentrations of silver nitrate and γ-CD, and reaction time. The as-synthesized AgNPs were characterized using UV–Vis spectroscopy, Transmission Electron Microscopy (TEM), Particle Size Analyzer (PSA), and Fourier Transform Infrared (FTIR). The findings revealed that these synthesis conditions had a significant influence on the morphology of AgNPs. Alkaline pH, increased silver nitrate and γ-CDs concentrations, and prolonged reaction times promoted the formation of smaller and more uniform nanoparticles, as indicated by a blue shift in the surface plasmon resonance (SPR) peak. The optimum synthesis conditions were identified as pH 11, AgNO₃ 2.5 × 10⁻⁴ M, γ-CDs 0.03 M (molar ratio 1:120), and 30 min of reaction time. Under these conditions, TEM analysis showed an average particle size of 10.98 ± 1.17 nm. FTIR analysis confirmed the successful formation of AgNPs, indicated by the presence of a CO peak, suggesting a redox interaction between AgNO₃ and γ-CDs. Zeta potential measurements demonstrated that the AgNPs exhibited values below −30 mV, indicating strong electrostatic repulsion and high colloidal stability. Furthermore, the AgNPs solution remained stable after four months of storage. This work provided valuable insights into tailoring the physicochemical properties of AgNPs for specific applications by precisely controlling synthesis parameters.

本研究以γ-环糊精（γ-CDs）为还原剂和稳定剂，通过化学还原途径合成了银纳米颗粒（AgNPs）。在pH、硝酸银和γ-CD的浓度以及反应时间等参数下进行了合成。采用紫外可见光谱（UV-Vis）、透射电子显微镜（TEM）、粒度分析仪（PSA）和傅里叶变换红外（FTIR）对合成的AgNPs进行了表征。结果表明，这些合成条件对AgNPs的形貌有显著影响。碱性pH、硝酸银和γ-CDs浓度的增加以及反应时间的延长促进了更小、更均匀的纳米颗粒的形成，表面等离子体共振（SPR）峰出现蓝移。最佳合成条件为pH为11，AgNO3为2.5 × 10−4 M， γ-CDs为0.03 M（摩尔比为1:20 20），反应时间为30 min。在此条件下，TEM分析显示平均粒径为10.98±1.17 nm。FTIR分析证实AgNPs的成功形成，通过CO峰的存在表明AgNO3和γ-CDs之间存在氧化还原相互作用。Zeta电位测量表明，AgNPs的电位值低于−30 mV，具有很强的静电斥力和较高的胶体稳定性。此外，AgNPs溶液在储存4个月后仍保持稳定。这项工作为通过精确控制合成参数来定制特定应用的AgNPs的物理化学性质提供了有价值的见解。

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引用次数: 0

Fabrication and characterization of a Ppy/SnO2 nanocomposite gas sensor for low-concentration CO2 detection 用于低浓度CO2检测的Ppy/SnO2纳米复合气体传感器的制备与表征

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-15 Epub Date: 2026-01-20 DOI: 10.1016/j.poly.2026.117979

Fatima S. Jalli, Tariq J. Alwan

This study reports the development of a high-performance gas sensor for detecting CO₂ gas. The sensor is fabricated using a polypyrrole/tin dioxide (Ppy/SnO₂) nanocomposite with varying SnO₂ loadings (0–4 wt%). The sensing mechanism is attributed to the formation of p-n heterojunctions at the Ppy/SnO₂ interface, which significantly enhances the response. The optimal composite, containing 4 wt% SnO₂, demonstrated outstanding performance, achieving a remarkable sensitivity of up to 91% toward 5 ppm CO₂. Operating the sensor at a relatively low working temperature of 70 °C was found to be ideal, offering an excellent balance between high sensitivity and significantly improved response and recovery times. These findings establish the Ppy/SnO₂ nanocomposite as a promising material for fabricating efficient, low-power sensors for practical CO₂ leak detection applications.

本研究报告了一种用于检测二氧化碳气体的高性能气体传感器的开发。该传感器由聚吡咯/二氧化锡（Ppy/SnO₂）纳米复合材料制成，具有不同的SnO₂负载（0-4 wt%）。该传感机制归因于在Ppy/ sno2界面处形成p-n异质结，显著增强了响应。最佳的复合材料，含有4 wt%的SnO₂，表现出出色的性能，对5 ppm CO₂的灵敏度高达91%。在70°C的相对较低的工作温度下操作传感器是理想的，在高灵敏度和显着改善的响应和恢复时间之间提供了极好的平衡。这些发现确立了Ppy/SnO₂纳米复合材料作为一种有前途的材料，用于制造高效，低功耗的传感器，用于实际的CO₂泄漏检测应用。

引用次数: 0

Cadmium-organic frameworks for the multi-functional luminescence sensing of MnO4−, Cr2O72− and CrO42− in water 用于水中MnO4−、Cr2O72−和CrO42−多功能发光传感的镉-有机骨架

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-15 Epub Date: 2026-01-27 DOI: 10.1016/j.poly.2026.117991

Xue-Yan Yan , Ke-Yan Xu , Si-Yi Cai, Jun-Jie Ding, Guang-Ju Weng, Jian-Mei Lu, Li-Xiong Shao

Herein, by traditional solvothermal method, two-dimensional cadmium-organic frameworks (referred to as SLX-7), were successfully synthesized and structurally characterized. Due to the satisfactory luminescence property, SLX-7 can be used as a multi-responsive luminescence sensor for MnO₄⁻, Cr₂O₇²⁻ and CrO₄²⁻ in water, with high selectivity and sensitivity, and good recyclability. The luminescence sensing mechanism was carefully studied, showing that the competitive absorption between SLX-7 and the analytes is responsible for the luminescence quenching.

本文采用传统的溶剂热法成功合成了二维镉有机骨架（简称SLX-7），并对其进行了结构表征。由于SLX-7具有良好的发光性能，可以作为水中MnO4−、Cr2O72−和CrO42−的多响应发光传感器，具有较高的选择性和灵敏度，并且具有良好的可回收性。对SLX-7的发光感应机理进行了细致的研究，结果表明SLX-7与分析物之间的竞争吸收是导致其发光猝灭的原因。

引用次数: 0

Fabrication of Co-Fe LDH supported on CNT and investigation of its photocatalytic activity towards degradation of malachite green dye 碳纳米管负载Co-Fe LDH的制备及其降解孔雀石绿染料的光催化活性研究

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-15 Epub Date: 2026-01-25 DOI: 10.1016/j.poly.2026.117985

Deep Kumar Bora , Shyamalee Patar , Sunita Laskar , Lakhya Jyoti Borthakur

Co-Fe layered double hydroxide (LDH) is a promising photocatalyst, however its wide band gap and limited charge separation hinder its visible light activity. In this study, a Co-Fe LDH@CNT nanocomposite was synthesized to enhance the photocatalytic performance. UV-DRS showed a blue shift in absorption edge from 226.80 nm to 223.58 nm for the composite with a significant band gap reduction from 2.73 eV to 2.10 eV. This reduction in band gap is attributed to interfacial charge transfer and improved conductivity due to CNTs. The composite exhibited superior photocatalytic degradation of malachite green (MG) dye, achieving over 96% removal within 45 min, compared to 82.42% in 120 min by the bare Co-Fe LDH. The apparent rate constant increased from 0.014 min⁻¹ for the bare Co-Fe LDH to 0.072 min⁻¹ for the composite. CNTs enhanced the charge carrier mobility, reduced recombination and promoted the generation of reactive oxygen species •OH and

O_{2}^{• -}

. The effect of pH, initial dye concentration and presence of inorganic salts on the degradation efficiency was also studied. The study confirms that CNTs effectively tune the band structure of Co-Fe LDH and significantly improved its photocatalytic efficiency, offering a scalable approach for the degradation of organic dyes under visible light

钴铁层状双氢氧化物（LDH）是一种很有前途的光催化剂，但其带隙宽和电荷分离有限，阻碍了其可见光活性。本研究合成了Co-Fe LDH@CNT纳米复合材料以增强其光催化性能。UV-DRS显示复合材料的吸收边从226.80 nm蓝移到223.58 nm，带隙从2.73 eV减小到2.10 eV。这种带隙的减小归因于界面电荷转移和碳纳米管提高的电导率。该复合材料对孔孔石绿（MG）染料表现出优异的光催化降解能力，在45 min内达到96%以上的去除率，而Co-Fe LDH在120 min内达到82.42%。表观速率常数从裸Co-Fe LDH的0.014 min−1增加到复合材料的0.072 min−1。CNTs增强了载流子迁移率，减少了复合，促进了活性氧•OH和O2•−的生成。考察了pH、初始染料浓度和无机盐的存在对降解效率的影响。该研究证实，CNTs可以有效调节Co-Fe LDH的能带结构，显著提高其光催化效率，为可见光下降解有机染料提供了一种可扩展的方法

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引用次数: 0

Comprehensive analysis of pseudo-octahedral lanthanide(III) and uranium(IV and VI) tri-(3,5-dimethoxyphenyl)phosphine oxide complexes 伪八面体镧系（III）和铀（IV和VI）三-（3,5-二甲氧基苯基）氧化膦配合物的综合分析

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-15 Epub Date: 2026-01-22 DOI: 10.1016/j.poly.2026.117975

Jacob P. Brannon , Joseph M. Sperling , Thomas E. Albrecht

By utilizing tri-(3,5-dimethoxyphenyl)phosphine oxide (OP(Ph^3,5OMe)₃) as a bulky ligand for complexing f-block elements, a series of pseudo-octahedral complexes of the form mer-LnBr₃(OP(Ph^3,5OMe)₃)₃ (Ln³⁺ = La³⁺–Lu³⁺ excluding Pm³⁺) were synthesized and characterized. This synthetic procedure was then applied to U(IV) and U(VI) where the trans-UX₄(OP(Ph^3,5OMe)₃)₂ and trans-U^VIO₂X₂(OP(Ph^3,5OMe)₃)₂ (X⁻ = Cl⁻, Br⁻, I⁻) complexes were obtained. The pseudo-octahedral local geometry about the metal centers was retained in all 20 compounds. These complexes were characterized by sc-XRD, p-XRD, solid-state Raman spectroscopy, solution and solid-state UV–vis-NIR spectroscopy, and ¹H, ¹³C, and ³¹P NMR spectroscopies. UV–vis-NIR spectra show only a few, weak 4f → 4f transitions for the lanthanide complexes as well as a reduction in the number and intensity of 5f → 5f transitions for U⁴⁺. This is ascribed to the pseudo-centrosymmetric, local coordination environment enforcing Laporte's selection rules. Bond metrics were used in conjunction with Natural Bonding Orbital (NBO) calculations to obtain the Natural Localized Molecular Orbitals (NLMOs) for investigation of the covalent contributions to bonding as it relates to the Inverse Trans Influence. There is a mild polarization of the Ln–L bonds that causes slightly heightened orbital mixing, but these effects are small in comparison with the U(IV) and U(VI) complexes. The observed orbital mixing is weak, but stronger than expected for a hard donor ligand with the Ln(III) cations. In contrast, the U(IV) and U(VI) complexes yield results similar to what would be expected in the lanthanide complexes based on Fajan's rules.

利用三-（3,5-二甲氧基苯基）氧化膦（OP(Ph3,5OMe)3）作为络合f嵌段元素的大体积配体，合成了一系列形式为mer-LnBr3(OP(Ph3,5OMe)3)3 （Ln3+ = La3+ - lu3 +，不含Pm3+）的伪八面体配合物，并对其进行了表征。然后将该合成方法应用于U（IV）和U(VI)，得到了反式ux4 (OP(Ph3,5OMe)3)2和反式uvio2x2 (OP(Ph3,5OMe)3)2 （X−= Cl−,Br−,I−）配合物。所有20个化合物的金属中心的伪八面体局部几何形状都保持不变。通过sc-XRD、p-XRD、固态拉曼光谱、溶液和固态紫外-可见-近红外光谱以及1H、13C和31P核磁共振光谱对这些配合物进行了表征。紫外-可见-近红外光谱显示镧系配合物只有少量的弱4f→4f跃迁，而U4+的5f→5f跃迁的数量和强度都有所减少。这归因于伪中心对称，局部协调环境强制执行拉波特的选择规则。键度量与自然成键轨道（NBO）计算结合使用，获得自然定域分子轨道（NLMOs），用于研究共价对键的贡献，因为它与反式影响有关。Ln-L键的轻微极化导致轨道混合略微增强，但与U（IV）和U（VI）配合物相比，这种影响很小。观察到的轨道混合是弱的，但对于Ln（III）阳离子的硬给体配体比预期的强。相比之下，U（IV）和U（VI）配合物的结果与基于Fajan规则的镧系配合物的结果相似。

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引用次数: 0

Facile synthesis of PCz/MnO2/GO heterojunction for enhanced photocatalytic activity towards congo red dye under various light irradiations PCz/MnO2/GO异质结的快速合成及其对刚果红染料的光催化活性

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-01 Epub Date: 2026-01-07 DOI: 10.1016/j.poly.2025.117952

John Williams D

This manuscript aims to develop the PCz/MnO₂/GO (PMG) p–n–p heterojunction harnessing UV and natural sunlight irradiation for the degradation of dyes. The synthesized PCz, MnO₂, GO, MnO₂/GO (MG) and PMG were exposed to XRD studies which exhibited the primitive tetragonal structure. The UV spectrum of PMG exhibited a peak at 336 nm which has the potential to absorb the UV and direct sunlight. The PMG manifested non-uniform spherical like morphology and demonstrated higher thermal stability than the MG and PCz. The PMG exhibited enhanced photo catalytic performance towards congo red (CR) dye under UV (97.5%) and natural sunlight (98.5%) irradiation. The rate constants (k) of PMG was 0.09755 which is 2.29 times greater than GO (0.04246) under identical conditions. Electrochemical impedance spectroscopy study under light medium reveals smaller arc radius for the excellent electron-hole separation. The PL study discloses that the PMG heterojunction was highly efficient in the separation of charge carriers. The ESR study shows that the superoxide and hole were the major radicals involved in the degradation of PMG. Furthermore, the heterojunction revealed exceptional stability after four successive cycles with only a 3–7% loss in photocatalytic efficiency. The prepared p–n–p heterojunction could be used as a valuable photocatalysts which intimidate the toxic waste products from the textile industries.

本论文旨在利用紫外线和自然光照，开发PCz/MnO2/GO (PMG) p-n-p异质结降解染料。对合成的PCz、MnO2、GO、MnO2/GO （MG）和PMG进行XRD分析，结果表明其呈原始四方结构。PMG的紫外光谱在336 nm处有一个峰值，具有吸收紫外线和阳光直射的潜力。PMG表现出非均匀的球形形貌，热稳定性优于MG和PCz。在紫外光（97.5%）和自然光（98.5%）照射下，PMG对刚果红（CR）染料的光催化性能增强。在相同条件下，PMG的反应速率常数(k)为0.09755，是氧化石墨烯（0.04246）的2.29倍。光介质下的电化学阻抗谱研究表明，较小的电弧半径使电子-空穴分离效果较好。PL研究表明，PMG异质结在分离载流子方面具有很高的效率。ESR研究表明，超氧化物和空穴是参与PMG降解的主要自由基。此外，异质结在连续四个循环后显示出优异的稳定性，光催化效率仅损失3-7%。所制备的p-n-p异质结可作为一种有价值的光催化剂，用于去除纺织工业产生的有毒废物。

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引用次数: 0

Methanol-templated supramolecular assembly in cadmium(II)-anthracene-vinylpyridyl complexes: from isostructurality to photophysical behavior 甲醇模板化镉(II)-蒽-乙烯基吡啶配合物中的超分子组装：从同构性到光物理行为

IF 2.6 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2026-03-01 Epub Date: 2026-01-02 DOI: 10.1016/j.poly.2025.117953

Devendra Dewangan , Uma Kurakula , Smita Singh , Sesha Vempati , Raghavender Medishetty

Five novel cadmium(II) coordination complexes incorporating 9-anthracenecarboxylic acid and 4-vinylpyridine derived ligands, [Cd(9AC)₂(4spy)₂(MeOH)]·MeOH (1), [Cd(9AC)₂(3tpy)₂(MeOH)]·MeOH (2), [Cd(9AC)₂(2tpy)₂(MeOH)]·MeOH (3), [Cd₂(9AC)₄(2tpy)(MeOH)₃] (4), and [Cd(9AC)₄]·2(H-2tpy) (5) (where 9AC = 9-anthracenecarboxylate, 4spy = 4-styrylpyridine, 3tpy = 4-(2-(thiophen-3-yl)vinyl)pyridine, 2tpy = 4-(2-(thiophen-2-yl)vinyl)pyridine, MeOH = methanol) have been synthesized and characterized by single-crystal X-ray diffraction. Their UV–visible absorption, luminescence, and thermal properties were examined. Compounds 1, 2 and 3 depicted structural similarity where these compounds have N and O atoms coordinated to Cd from the 4-vinylpyridine-derived ligands, methanol and 9AC ligand, along with one lattice methanol. This methanol molecule formed H-bond with neighboring Cd complex and this way the chain structure is propagated. Compounds 2 and 3 are isostructural in nature whereas 1 has shown low packing similarity. This similarity is mainly derived by the benzene-thiophene exchange rule as well as positional change of S atom. The influence of methanol on the formation of supramolecular chains propagating in opposite directions analogous to that of DNA strands. All these compounds displayed comparable thermal stability, optical characteristics, and structural features. Meanwhile, 4 and 5 have different stoichiometry and structural packing attributed to the variable coordination geometries accessible to cadmium. Hirshfeld surface analysis highlighted the significant role of van der Waals interactions in crystal packing, and these structures would be interesting to understand the role of solvent, metal geometries and solid-state packing.

五种新型镉（II）配位配合物包含9-蒽基羧酸和4-乙烯基吡啶衍生配体，[Cd(9AC)2(4spy)2(MeOH)]·MeOH (1), [Cd(9AC)2(3tpy)2(MeOH)]·MeOH (2), [Cd(9AC)2(2tpy)2(MeOH)]]·MeOH (3), [Cd2(9AC)4(2tpy)(MeOH)3](4)和[Cd(9AC)4]·2(H-2tpy))(5)(其中9AC = 9-蒽基羧酸盐，4spy = 4-苯基吡啶，3tpy = 4-（2-（噻吩-3-基）乙烯基）吡啶，2tpy = 4-（2-（噻吩-2-基）乙烯基）吡啶，2tpy = 4-（2-（噻吩-2-基）乙烯基）吡啶，合成了甲醇（MeOH =甲醇），并用单晶x射线衍射对其进行了表征。测试了它们的紫外可见吸收、发光和热性能。化合物1、2和3具有结构相似性，这些化合物的N和O原子与4-乙烯基吡啶衍生配体、甲醇和9AC配体的Cd配位，以及一个晶格甲醇。甲醇分子与相邻的Cd络合物形成氢键，这样就形成了链结构。化合物2和3本质上是同构的，而化合物1表现出较低的排列相似性。这种相似性主要是由苯-噻吩交换规则和S原子的位置变化引起的。甲醇对形成与DNA链相反方向传播的超分子链的影响。所有这些化合物都表现出相当的热稳定性、光学特性和结构特征。同时，4和5具有不同的化学计量和结构堆积，这是由于镉可以接触到不同的配位几何。Hirshfeld表面分析强调了范德华相互作用在晶体填充中的重要作用，而这些结构对于理解溶剂、金属几何形状和固态填充的作用将是有趣的。

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引用次数: 0