{"title":"纳米二氧化硅、酒石酸和铋酸镁(SiO2/L-Tar/MgBi2O4)的新型复合材料:用于无溶剂合成 5-(吲哚)-色并[2,3-b]吡啶的多功能可回收促进剂","authors":"","doi":"10.1016/j.molstruc.2024.140012","DOIUrl":null,"url":null,"abstract":"<div><p>In the present work, commercial amorphous nano-silica has been covered by <em><span>l</span></em>-tartaric acid and MgBi<sub>2</sub>O<sub>4</sub> to obtain the nanocomposite (SiO<sub>2</sub>/<em>L</em>-Tar/MgBi<sub>2</sub>O<sub>4</sub>) which has been characterized by Fourier transform infrared (FT-IR), Field emission scanning electron microscopy (FESEM), Energy-dispersive X-ray spectroscopy (EDAX), and X-ray diffraction (XRD) techniques. In continue, it has been utilized as an efficient, heterogeneous, and recoverable catalyst for the green and pseudo four-component synthesis of diverse 5-(indole)-chromeno[2,3-<em>b</em>]pyridines from the reaction of various salicylaldehydes, indoles, and malononitrile, in 1:1: 2 molar ratio, under solvent-free conditions at 50 °C. The recovery of the nanocatalyst was also examined within two runs successfully. The recovered inorganic-organic nanohybrid has been identified through FESEM and EDAX techniques. The structural parameters and thermodynamic stability of SiO<sub>2</sub>/<em>L</em>-Tar complexes have been investigated by density functional theory (DFT) calculations. Additionally, the nature of intermolecular hydrogen bonds has been studied by natural bond orbital (NBO) analysis. Short reaction times, simple and facile work-up procedures, and good yields are the advantages of this producer.</p></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":null,"pages":null},"PeriodicalIF":4.0000,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Novel composite of nano-silica, l-tartaric acid, and magnesium bismuthate (SiO2/L-Tar/MgBi2O4): A versatile recoverable promoter for solvent-free synthesis of 5-(indole)-chromeno[2,3-b]pyridines\",\"authors\":\"\",\"doi\":\"10.1016/j.molstruc.2024.140012\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In the present work, commercial amorphous nano-silica has been covered by <em><span>l</span></em>-tartaric acid and MgBi<sub>2</sub>O<sub>4</sub> to obtain the nanocomposite (SiO<sub>2</sub>/<em>L</em>-Tar/MgBi<sub>2</sub>O<sub>4</sub>) which has been characterized by Fourier transform infrared (FT-IR), Field emission scanning electron microscopy (FESEM), Energy-dispersive X-ray spectroscopy (EDAX), and X-ray diffraction (XRD) techniques. In continue, it has been utilized as an efficient, heterogeneous, and recoverable catalyst for the green and pseudo four-component synthesis of diverse 5-(indole)-chromeno[2,3-<em>b</em>]pyridines from the reaction of various salicylaldehydes, indoles, and malononitrile, in 1:1: 2 molar ratio, under solvent-free conditions at 50 °C. The recovery of the nanocatalyst was also examined within two runs successfully. The recovered inorganic-organic nanohybrid has been identified through FESEM and EDAX techniques. The structural parameters and thermodynamic stability of SiO<sub>2</sub>/<em>L</em>-Tar complexes have been investigated by density functional theory (DFT) calculations. Additionally, the nature of intermolecular hydrogen bonds has been studied by natural bond orbital (NBO) analysis. Short reaction times, simple and facile work-up procedures, and good yields are the advantages of this producer.</p></div>\",\"PeriodicalId\":16414,\"journal\":{\"name\":\"Journal of Molecular Structure\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.0000,\"publicationDate\":\"2024-09-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Structure\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022286024025213\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286024025213","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
摘要
在本研究中,商用无定形纳米二氧化硅被酒石酸和镁硼氧化物覆盖,得到了纳米复合材料(SiO2/L-Tar/MgBi2O4),并通过傅立叶变换红外(FT-IR)、场发射扫描电子显微镜(FESEM)、能量色散 X 射线光谱(EDAX)和 X 射线衍射(XRD)技术对其进行了表征。在 50 °C的无溶剂条件下,该催化剂被用作一种高效、异相和可回收的催化剂,用于从各种水杨醛、吲哚和丙二腈以 1:1:2 的摩尔比反应生成多种 5-(吲哚)-色烯并[2,3-b]吡啶的绿色假四组分合成。纳米催化剂的回收率也在两次运行中得到了检验。通过 FESEM 和 EDAX 技术对回收的无机-有机纳米杂化物进行了鉴定。通过密度泛函理论(DFT)计算研究了 SiO2/L-Tar 复合物的结构参数和热力学稳定性。此外,还通过自然键轨道(NBO)分析研究了分子间氢键的性质。该生产商的优点是反应时间短、操作简单方便、产率高。
Novel composite of nano-silica, l-tartaric acid, and magnesium bismuthate (SiO2/L-Tar/MgBi2O4): A versatile recoverable promoter for solvent-free synthesis of 5-(indole)-chromeno[2,3-b]pyridines
In the present work, commercial amorphous nano-silica has been covered by l-tartaric acid and MgBi2O4 to obtain the nanocomposite (SiO2/L-Tar/MgBi2O4) which has been characterized by Fourier transform infrared (FT-IR), Field emission scanning electron microscopy (FESEM), Energy-dispersive X-ray spectroscopy (EDAX), and X-ray diffraction (XRD) techniques. In continue, it has been utilized as an efficient, heterogeneous, and recoverable catalyst for the green and pseudo four-component synthesis of diverse 5-(indole)-chromeno[2,3-b]pyridines from the reaction of various salicylaldehydes, indoles, and malononitrile, in 1:1: 2 molar ratio, under solvent-free conditions at 50 °C. The recovery of the nanocatalyst was also examined within two runs successfully. The recovered inorganic-organic nanohybrid has been identified through FESEM and EDAX techniques. The structural parameters and thermodynamic stability of SiO2/L-Tar complexes have been investigated by density functional theory (DFT) calculations. Additionally, the nature of intermolecular hydrogen bonds has been studied by natural bond orbital (NBO) analysis. Short reaction times, simple and facile work-up procedures, and good yields are the advantages of this producer.
期刊介绍:
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