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Multiscale machine learning strategies for designing high-performance indaceno-bithiophene-based polymers 设计高性能indaceno- bi噻吩基聚合物的多尺度机器学习策略
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2539778
Remah A.S. Radi , Mohammed F. Hassan , Fatima J. Hassoun , Hussein A.K. Kyhoiesh , Hassan E. Abd Elsalam , Islam H. El Azab
A machine learning (ML) assisted reverse polymer engineering approach was employed to design indaceno-bithiophene polymers with high glass transition temperature (Tg). A dataset of 482 indaceno-bithiophene-based polymers was collected and used to train several ML models, including random forest, decision tree, AdaBoost, and gradient boosting. The random forest model exhibited the highest performance with an R2 value of 0.97 and a mean squared error (MSE) of 19.69. Feature importance analysis revealed that heavy atoms, Chi1, Chi0, LabuteASA, Chi0v, and estate_VSA8 were the most important descriptors contributing to the predicted Tg values. Using the trained random forest model, 306 new indaceno-bithiophene polymers were designed with predicted Tg values ranging from 224-667. The highest predicted Tg value of 667 was achieved, indicating that the designed polymers possess high thermal stability. The synthetic accessibility of the designed polymers was also evaluated, with scores ranging from 0.001 to 0.20. This work demonstrates the potential of ML-assisted reverse polymer engineering in designing high-performance polymers with tailored properties. The approach can be applied to other polymer systems, facilitating the rapid development of novel materials with improved thermal stability.
采用机器学习(ML)辅助的逆向聚合物工程方法设计了具有高玻璃化转变温度(Tg)的吲哚-双噻吩聚合物。收集了482个基于吲哚噻吩的聚合物的数据集,并用于训练几个ML模型,包括随机森林、决策树、AdaBoost和梯度增强。随机森林模型的R2值为0.97,均方误差(MSE)为19.69。特征重要性分析表明,重原子Chi1、Chi0、LabuteASA、Chi0v和estate_VSA8是对预测Tg值贡献最大的描述子。利用训练好的随机森林模型,设计了306种新的吲哚-双噻吩聚合物,预测Tg值在224-667之间。结果表明,所设计的聚合物具有较高的热稳定性。设计的聚合物的合成可及性也进行了评估,得分范围从0.001到0.20。这项工作证明了ml辅助的逆向聚合物工程在设计具有定制性能的高性能聚合物方面的潜力。该方法可以应用于其他聚合物体系,促进新材料的快速发展,提高热稳定性。
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引用次数: 0
Synthetic relevance and mechanistic insights of sulfonylation reactions using sulfonylhydrazides 利用磺酰肼的磺化反应的合成相关性和机理见解
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2560441
Tanu Gupta , Manish Raj , Priya Kumari ,  Premlata , Priyanka Kumari , Chandan Kumar Chanchal , Chandra Kant , Neetu Singh , Rajesh Kumar
Sulfur-containing organic molecules play vital roles in natural products, pharmaceuticals, ligands, catalysts, and materials science. The construction of C–S bonds is a key strategy for synthesizing such compounds, including sulfides, sulfoxides, and sulfones. Although sulfur has long been utilized in chemical synthesis, sulfonyl hydrazides have only recently emerged as efficient sulfur sources. Under suitable conditions-thermal, basic, radical, oxidative, or transition metal-catalyzed-the hydrazinyl group of sulfonyl hydrazides can be readily removed, enabling the sulfonyl unit to couple with diverse substrates. This versatility allows the synthesis of sulfones, sulfonamides, sulfonyl halides, thiosulfonates, and selenosulfonates through C–S, N–S, X–S, S–S, and Se–S bond formations. One limitation historically hindering the development of C–S coupling strategies is the unpleasant odor of sulfur-containing intermediates, which may explain the relatively lower attention compared to other C–heteroatom bond-forming reactions. Nevertheless, the pursuit of efficient and practical sulfur sources continues, driven by the broad utility of organosulfur compounds. Recent advances have provided innovative, reliable methodologies for C–S bond formation, significantly expanding the synthetic toolbox. This review summarizes and discusses the progress in C–S bond construction employing sulfonyl hydrazides as versatile sulfur donors.
含硫有机分子在天然产物、药物、配体、催化剂和材料科学中发挥着重要作用。C-S键的构建是合成此类化合物的关键策略,包括硫化物、亚砜和砜。虽然硫在化学合成中早已被利用,但磺酰肼只是最近才成为有效的硫源。在合适的条件下——热、碱、自由基、氧化或过渡金属催化——磺酰肼的肼基可以很容易地被去除,使磺酰单位与各种底物偶联。这种多功能性允许通过C-S, N-S, X-S, S-S和Se-S键形成砜,磺酰胺,磺酰卤化物,硫代磺酸盐和硒代磺酸盐的合成。历史上阻碍C-S偶联策略发展的一个限制是含硫中间体的难闻气味,这可能解释了与其他c -杂原子成键反应相比,相对较低的关注度。尽管如此,在有机硫化合物广泛应用的推动下,对高效实用硫源的追求仍在继续。最近的进展为C-S键的形成提供了创新、可靠的方法,大大扩展了合成工具箱。本文综述并讨论了以磺酰肼作为多功能硫给体构建C-S键的研究进展。
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引用次数: 0
Synthesis, characterization, antimicrobial and in vitro cytotoxicity evaluation of sulfur rich complex of Hg (II) dithiocarbamate 二硫代氨基甲酸汞富硫配合物的合成、表征、抗菌及体外细胞毒性评价
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2550338
Vinay kumar Srivastava , Khushboo Rani , Ashwani Kumar
This article outlines the synthesis, structure, and evaluation of the antimicrobial and anticancer properties of sodium diethyl dithiocarbamate Hg(II) complex. The single crystal X-ray structure of the complex revealed a mercury core with a distorted tetrahedral coordination sphere, where each mercury atom is coordinated to four sulfur atoms from the dithiocarbamate moiety. The Hg (II) compound was assessed for antimicrobial efficacy and its anticancer properties utilizing the HeLa cell line.
本文概述了二乙基二硫代氨基甲酸钠汞(II)配合物的合成、结构和抗菌抗癌性能的评价。该配合物的单晶x射线结构显示出一个具有扭曲四面体配位球的汞核,其中每个汞原子与来自二硫氨基甲酸酯部分的四个硫原子配位。利用HeLa细胞系对汞(II)化合物的抑菌效果和抗癌特性进行了评价。
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引用次数: 0
Interaction of (CH3)3S+ with (HnPO4)n-2(n=0-3) species: charge-assisted chalcogen bond interactions (CH3)3S+与(HnPO4)n-2(n=0-3)物质的相互作用:电荷辅助的硫键相互作用
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2525567
Abedien Zabardasti , Zahraa Mushtaq Abd Al-Aama , Nahlah Jaber Hussein , Mohammad N. AL-Baiati , Maryam Salehnassaj
The Charge-assisted chalcogen bond interaction is investigated by ab initio theoretical study on the aggregates of trimethylsulfonium [(CH3)3S]+ with phosphate species H3PO4, $ {textrm{H}_2}textrm{PO}_4^ - $ H2PO4, $ textrm{HPO}_4^{2 - } $ HPO42, and $ textrm{PO}_4^{3 - } $ PO43 ( $ {textrm{H}_n}textrm{PO}_4^{n - 3} $ HnPO4n3, n = 0–3). Stabilities of [(CH3)3S(HnPO4)]n−2 adducts increased from −16.69 to −94.63, −182.73, and −232.73 kcal/mol for n=3, 2, 1, and 0, respectively. Results reveal charge-assisted S … O chalcogen bonding (CAChB) beside C–H … O hydrogen bond (HB) interactions in the [(CH3)3S(HnPO4)]n−2 complexes. Results indicate a significant increase in the ChB strength with the progress of proton departure from the H3PO4 molecule. So, the AIM results deal with a change of S … O characteristic from a weak noncovalent ChB for [(CH3)3S(H3PO4)]1+ to a relatively covalent interaction for [(CH3)3S(PO4)]−2. Shortening of S … O bond distances from 2.8842 to 1.8317 and an increase of their vibrational stretching frequencies from 128 to 548 cm1- by decreasing the n in [(CH3)3S(HnPO4)]n−2 complexes, are in agreement with the stability of adducts. For [(CH3)3S(PO4)]−2 the calculated S … O bond distance (1.8317Å) is close to a common S-O single bond (1.6858Å) that arises from the increase of the covalent nature of S … O interaction in the under studied complexes.
用从头算理论研究了三甲基磺胺[(CH3)3S]+与磷酸基团H3PO4、$ {textrm{H}_2}textrm{PO}_4^ - $ H2PO4−、$ textrm{HPO}_4^{2 -} $ HPO42−和$ textrm{PO}_4^{3 -} $ PO43−($ {textrm{H}_n}textrm{PO}_4^{n - 3} $ HnPO4n−3,n = 0-3)聚集体的电荷辅助硫键相互作用。当n=3、2、1和0时,[(CH3)3S(HnPO4)]n−2加合物的稳定性分别从−16.69 kcal/mol增加到−94.63、−182.73和−232.73 kcal/mol。结果表明,在[(CH3)3S(HnPO4)]n−2配合物中,电荷辅助S…O氢键(CAChB)与C-H…O氢键(HB)之间存在相互作用。结果表明,随着质子脱离H3PO4分子的进展,ChB强度显著增加。因此,AIM结果处理了S…O特征的变化,从[(CH3)3S(H3PO4)]1+的弱非共价ChB到[(CH3)3S(PO4)]−2的相对共价相互作用。通过降低[(CH3)3S(HnPO4)]n−2配合物中的n, S…O键的距离从2.8842缩短到1.8317,其振动伸展频率从128增加到548 cm2 -,这与加合物的稳定性是一致的。对于[(CH3)3S(PO4)]−2,计算出的S…O键距离(1.8317Å)接近于普通S-O单键(1.6858Å),这是由于所研究的配合物中S…O相互作用的共价键性质的增加。
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引用次数: 0
Synthesis and antiproliferative activities of amidethiophene selenocyanates 氨基噻吩硒氰酸酯的合成及其抗增殖活性
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2568656
Zhiping Liu , Lijie Che , Maixia Liu , Xiyan Tang , Chunfang Gan , Haifeng Chen , Jianguo Cui , Yanmin Huang
In this study, novel amidethiophene selenocyanates were synthesized and structurally characterized using NMR and HR-MS techniques, and their antiproliferative activities were further evaluated via MTT assays. The results demonstrated that these amidethiophene selenocyanates exhibit potent inhibitory effects on tumor cell proliferation. Specifically, compound 5e exhibited IC50 values of 6.39 µM against HeLa cells and 6.77 µM against MCF-7 cells, while compound 5j displayed an IC50 value of 5.20 µM against SKOV-3 cells. Furthermore, compound 5m exhibited IC50 values of 4.27 µM against HepG-2 cells and 5.68 µM on T47D cells, indicating a more pronounced antiproliferative effect compared to cisplatin. Additionally, compound 5e was found to induce G1 phase cell cycle arrest in HeLa cells, triggering early apoptosis and subsequent inhibition of cell proliferation. These findings suggest that amidethiophene selenocyanates may represent a promising class of small-molecule antitumor agents with potential for medicinal research, warranting further investigation.
本研究合成了一种新型的氨基噻吩硒氰酸酯,并利用NMR和HR-MS技术对其进行了结构表征,并通过MTT实验进一步评价了其抗增殖活性。结果表明,这些氨基噻吩硒氰酸酯对肿瘤细胞增殖具有明显的抑制作用。其中,化合物5e对HeLa细胞的IC50值为6.39µM,对MCF-7细胞的IC50值为6.77µM,化合物5j对SKOV-3细胞的IC50值为5.20µM。此外,化合物5m对HepG-2细胞的IC50值为4.27µM,对T47D细胞的IC50值为5.68µM,表明化合物5m比顺铂具有更明显的抗增殖作用。此外,化合物5e在HeLa细胞中诱导G1期细胞周期阻滞,引发早期凋亡和随后的细胞增殖抑制。这些发现表明,氨基噻吩硒氰酸酯可能是一类有潜力的小分子抗肿瘤药物,具有医学研究潜力,值得进一步研究。
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引用次数: 0
Quality by design-based method to synthesize sulfonamides using LiOH.H2O 用设计法合成磺胺类化合物。水
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2543801
Sahil P. Bait , Archana S. Gurjar
A rapid, systematic and optimized process for the synthesis of sulfonamides was developed using lithium hydroxide monohydrate (LiOH.H2O) as a base. The study employed a response surface methodology (RSM) approach using a central composite design (CCD) to determine the ideal reaction conditions, specifically base equivalence and temperature. A series of 13 experimental runs identified the most efficient conditions as 0–5°C with 0.5 equivalents of LiOH.H2O, resulting in very good to excellent yields within 1–8 min. The optimized reaction parameters significantly reduced reaction time while maintaining high selectivity and yield. Compared to conventional base-mediated sulfonamide synthesis, this approach minimizes excess reagent usage, enhances reaction efficiency, and supports sustainable synthetic methodologies.
以一水氢氧化锂(LiOH.H2O)为原料,研究了一种快速、系统、优化的磺胺类化合物合成工艺。本研究采用响应面法(RSM),采用中心复合设计(CCD)确定理想的反应条件,特别是碱的等效性和温度。一系列的13次实验运行确定了最有效的条件是0-5°C和0.5等量的LiOH。H2O,在1-8分钟内产生非常好的到优异的产率。优化后的反应参数显著缩短了反应时间,同时保持了较高的选择性和产率。与传统的碱介导的磺胺合成相比,这种方法最大限度地减少了多余的试剂使用,提高了反应效率,并支持可持续的合成方法。
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引用次数: 0
Metal oxide-incorporated polyphenylene sulfide for enhanced catalytic oxidation of sodium sulfide 用于增强硫化钠催化氧化的金属氧化物掺入聚苯硫醚
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2557952
Hong Dzung Lai , Renat Maratovich Akhmadullin , Farida Yunusovna Akhmadullina , Rustem Kayumovich Zakirov , Hien Y Hoang
In this study, a novel heterogeneous catalyst was developed for the deep oxidation of sulfides to sulfates. Heterogeneous catalysts were synthesized with metal oxides as active substances (MnO2, CuO, TiO, Fe2O3, NiO, CdO, Mn2O3, Cr2O3, PbO, MnO, Cu2O) on polyphenylene sulfide (PPS) as the support (matrix). The activity of each heterogeneous catalyst in liquid-sulfide oxidation under severe conditions (high temperature, high pressure, and high sulfide concentration) was investigated. The research results show that the catalyst containing MnO2 incorporated onto PPS is considered the most effective for liquid-sulfide oxidation. Factors influencing the catalytic activity in inorganic sulfide oxidation were evaluated to provide the optimal conditions for this process. To confirm the effectiveness of the heterogeneous catalyst in treating wastewater containing inorganic sulfide, the toxicity was evaluated before and after oxidation. The biological testing method was carried out with the test subject Paramecium caudatum, and the research results indicated that toxicity was significantly reduced after oxidation with a catalyst. This study contributes to solving the problem of sulfide removal in wastewater, especially at high concentrations.
本研究开发了一种新型多相催化剂,用于硫化物深度氧化制硫酸盐。以聚苯硫醚(PPS)为载体(基体),以金属氧化物(MnO2、CuO、TiO、Fe2O3、NiO、CdO、Mn2O3、Cr2O3、PbO、MnO、Cu2O)为活性物质合成了非均相催化剂。研究了各种多相催化剂在高温、高压、高硫化物浓度条件下的液硫氧化活性。研究结果表明,含MnO2的PPS催化剂是最有效的液体硫化物氧化催化剂。评价了影响无机硫化物氧化催化活性的因素,为该工艺提供了最佳工艺条件。为了验证多相催化剂处理含无机硫化物废水的有效性,对其氧化前后的毒性进行了评价。以实验对象尾草履虫(Paramecium caudatum)为实验对象进行了生物学试验方法,研究结果表明,经催化剂氧化后毒性明显降低。该研究有助于解决废水中硫化物的去除问题,特别是高浓度的硫化物。
{"title":"Metal oxide-incorporated polyphenylene sulfide for enhanced catalytic oxidation of sodium sulfide","authors":"Hong Dzung Lai ,&nbsp;Renat Maratovich Akhmadullin ,&nbsp;Farida Yunusovna Akhmadullina ,&nbsp;Rustem Kayumovich Zakirov ,&nbsp;Hien Y Hoang","doi":"10.1080/17415993.2025.2557952","DOIUrl":"10.1080/17415993.2025.2557952","url":null,"abstract":"<div><div>In this study, a novel heterogeneous catalyst was developed for the deep oxidation of sulfides to sulfates. Heterogeneous catalysts were synthesized with metal oxides as active substances (MnO<sub>2</sub>, CuO, TiO, Fe<sub>2</sub>O<sub>3</sub>, NiO, CdO, Mn<sub>2</sub>O<sub>3</sub>, Cr<sub>2</sub>O<sub>3</sub>, PbO, MnO, Cu<sub>2</sub>O) on polyphenylene sulfide (PPS) as the support (matrix). The activity of each heterogeneous catalyst in liquid-sulfide oxidation under severe conditions (high temperature, high pressure, and high sulfide concentration) was investigated. The research results show that the catalyst containing MnO<sub>2</sub> incorporated onto PPS is considered the most effective for liquid-sulfide oxidation. Factors influencing the catalytic activity in inorganic sulfide oxidation were evaluated to provide the optimal conditions for this process. To confirm the effectiveness of the heterogeneous catalyst in treating wastewater containing inorganic sulfide, the toxicity was evaluated before and after oxidation. The biological testing method was carried out with the test subject <em>Paramecium caudatum,</em> and the research results indicated that toxicity was significantly reduced after oxidation with a catalyst. This study contributes to solving the problem of sulfide removal in wastewater, especially at high concentrations.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 6","pages":"Pages 1248-1263"},"PeriodicalIF":1.6,"publicationDate":"2025-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145493121","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 facile approach to achieve grain growth in CdS thin films by MgCl2 activation: thermal annealing evolution 通过MgCl2活化实现CdS薄膜晶粒生长的一种简便方法:热退火演化
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2534383
Suman Kumari , D. Suthar , G. Chasta ,  Himanshu , N. Kumari , M. S. Dhaka
The present work explores the grain growth mechanism and optimization of physical properties of CdS films by environment-friendly MgCl2 activation. The CdS films are thermally evaporated and treated with saturated solution of MgCl2 compound, followed by thermal annealing at 100°C, 200°C, and 300°C temperatures. A structural study reveals the polycrystalline nature of CdS films having diffraction peaks corresponding to cubic and hexagonal phases with preferential orientation along (220)C plane. The estimated crystallite size of CdS films is found in the 13–45 nm range with MgCl2 activation, and an indication of phase conversion from (220)C to (002)H orientation is observed at 300°C. Transverse current–voltage characteristics validate Ohmic behavior where electrical conductivity is fluctuated with MgCl2 activation. The Tauc’s plots yielded optical energy band-gap for prepared CdS films in 1.82–2.35 eV range, and the extinction coefficient and transmittance of CdS films fluctuated with activation temperature. A broad PL emission peak appears in spectral range of ∼660–710 nm, corresponding to photon energy range of ∼1.74–1.87 eV. The PL intensity of the broad emission is boosted with activation up to 200 °C. Surface topographical micrographs indicate hill- and valley-like structures, and surface roughness is observed in 2.18–29.41 nm range with MgCl2 activation temperature.
本研究探讨了环境友好型MgCl2活化CdS薄膜的晶粒生长机理和物理性能的优化。采用饱和MgCl2溶液对CdS薄膜进行热蒸发处理,然后在100℃、200℃和300℃的温度下进行热退火。结构研究揭示了CdS薄膜的多晶性质,其衍射峰对应于立方相和六方相,沿(220)C平面具有优先取向。在MgCl2活化下,CdS薄膜的晶体尺寸在13-45 nm范围内,并且在300°C时观察到从(220)C到(002)H取向的相变。横向电流-电压特性验证了电导率随MgCl2活化而波动的欧姆行为。Tauc图显示CdS薄膜的能带在1.82 ~ 2.35 eV范围内,消光系数和透射率随活化温度的变化而波动。宽的PL发射峰出现在~ 660 ~ 710 nm的光谱范围内,对应于光子能量范围为~ 1.74 ~ 1.87 eV。当激活温度达到200°C时,宽发射的PL强度增强。在MgCl2活化温度下,表面粗糙度在2.18 ~ 29.41 nm范围内。
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引用次数: 0
Two 2D Ni(II) coordination polymers assembled from 3,4-ethylenedioxythiophene-2,5-dicarboxylic acid and flexible N-donor linkers: syntheses, crystal structures and properties 由3,4-乙烯二氧噻吩-2,5-二羧酸和柔性n给体连接体组装的两种2D Ni(II)配位聚合物:合成、晶体结构和性能
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2554713
Li-Ping Xue , Guan-Ru Chen
The present work reports two coordination polymers, formulated as [Ni(L)(dpa)(H2O)]·DMFn (1), [Ni(L)(bimm)(H2O)]·4H2On (2) (H2L = 3,4-ethylenedioxythiophene-2,5-dicarboxylic acid, dpa = 4,4′-dipyridylamine and bimm = bis(imidazol-1′-yl)methane). Both compounds were synthesized with high yields under solvothermal condition and structurally characterized via single crystal X-ray diffraction, infrared spectra, thermogravimetric analysis, powder X-ray diffraction and solid state UV-vis absorption spectra. In 1 and 2, L2− anions connects Ni2+ ions via the same coordination mode, generating similar 1D linear metal carboxylate chains. Auxiliary N-donor dpa linkers further connect two adjacent 1D chains in 1 to produce a 2D layer structure, while bimm linkers further bridge two adjacent 1D chains in 2 to generate a double chain. Finally, the 2D network in 1 and 1D double chain in 2 are extended to 3D and 2D supramolecular architectures through similar π···π interactions, respectively. These results reveal that auxiliary N-donor linkers play important roles in the construction of coordination polymers. Furthermore, thermal behaviors, solid state UV-vis diffuse reflection spectra and optical energy gaps for 1 and 2 have been investigated.
本工作报道了两种配位聚合物,分子式为[Ni(L)(dpa)(H2O)]·DMFn (1), [Ni(L)(bimm)(H2O)]·4H2On (2) (H2L = 3,4-乙烯二氧噻吩-2,5-二羧酸,dpa = 4,4 ' -二吡啶胺和bimm =双(咪唑-1 ' -基)甲烷)。两种化合物均在溶剂热条件下高收率合成,并通过单晶x射线衍射、红外光谱、热重分析、粉末x射线衍射和固态紫外-可见吸收光谱对其结构进行了表征。在1和2中,L2−阴离子通过相同的配位方式连接Ni2+离子,生成类似的一维线性金属羧酸盐链。辅助n -给体dpa连接剂进一步连接1中相邻的两个1D链,形成二维层结构,而bimm连接剂进一步连接2中相邻的两个1D链,形成双链。最后,通过类似的π···π相互作用,将1中的二维网络和2中的一维双链分别扩展到三维和二维超分子结构。这些结果表明,辅助n给体连接剂在配位聚合物的构建中起着重要的作用。此外,还研究了1和2的热行为、固态紫外-可见漫反射光谱和光能隙。
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引用次数: 0
Tandem synthesis of novel substituted sulfonyl-imino-sulfonamide derivatives from terminal alkynes, sulfonyl azides, isocyanide, and sodium arylsulfinates under ultrasound irradiation 超声辐照下由末端炔、磺酰叠氮化物、异氰化物和芳基亚磺酸钠串联合成新型取代磺酰亚胺衍生物
IF 1.6 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-11-02 DOI: 10.1080/17415993.2025.2551762
Manijeh Nematpour
A class of novel substituted sulfonyl-imino-sulfonamide is obtained in a tandem mode reaction using Cu-catalyzed [3 + 2] azide–alkyne cycloaddition (CuAAC)/ N-sulfonylketenimine with isocyanides and sodium arylsulfinates in DMF as solvent at room temperature with good yields. The speed and ease of carrying out this four-component reaction in a short time under ultrasound conditions as an energy source, one-pot conditions with available materials, without using column chromatography, make it a method of choice to synthesize substituted sulfonyl-imino-sulfonamide derivatives.
以cu催化的[3 + 2]叠氮化物-炔环加成(CuAAC)/ n -磺基酮亚胺为原料,异氰酸酯和亚芳基亚硫酸钠为溶剂,在室温条件下,用串联模式反应制得了一类新型取代磺酰亚胺。在超声作为能量源的条件下,在一锅条件下,利用现有的材料,在短时间内进行这种四组分反应的速度和容易性,使其成为合成取代磺酰亚胺磺酰胺衍生物的首选方法。
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引用次数: 0
期刊
Journal of Sulfur Chemistry
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