{"title":"调节磁性纳米粒子支持的咪唑三溴化物锌离子液体上的 N-官能团氢键供体,用于 CO2 环化反应","authors":"","doi":"10.1016/j.ces.2024.120731","DOIUrl":null,"url":null,"abstract":"<div><p>The design of catalysts for the mile production of cyclic carbonates by CO<sub>2</sub> cycloaddition is of value. Magnetic polymer nanoparticles-supported imidazole tribromide zinc ionic liquid catalysts, incorporating N-functional hydrogen bond donors (HBD), was successfully accomplished. The correlation between the N-functional HBD and catalytic activity was thoroughly investigated through experimental studies and DFT calculations. The catalyst featuring a secondary amine group (NHM) demonstrated remarkable catalytic performance in CO<sub>2</sub> cycloaddition reactions. Under optimized conditions, including 0.12 mol% catalyst dose, 100 °C, and <span><math><mrow><msub><mi>n</mi><mrow><mi>PO</mi></mrow></msub><mo>:</mo><msub><mi>n</mi><msub><mrow><mi>CO</mi></mrow><mn>2</mn></msub></msub></mrow></math></span> = 1:1.2 for 3 h, a complete conversion was achieved. The exceptional performance of the catalyst was attributed to the multicenter synergistic effect, arising from the appropriate electronegativity, minimal spatial site resistance, a balanced distance between the NHM and imidazolium ion, and the presence of multiple active centers (NHM, Zn<sup>2+</sup>, and Br<sup>−</sup>). The integration of a magnetic component enabled swift separation and exceptional recovery stability over 8 consecutive cycles.</p></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":null,"pages":null},"PeriodicalIF":4.1000,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0009250924010315/pdfft?md5=6428d5caf103e050296bb9a81fe375e2&pid=1-s2.0-S0009250924010315-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Regulating the N-functional hydrogen bond donors over magnetic nanoparticles supported imidazole tribromide zinc ionic liquid for CO2 cycloaddition\",\"authors\":\"\",\"doi\":\"10.1016/j.ces.2024.120731\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The design of catalysts for the mile production of cyclic carbonates by CO<sub>2</sub> cycloaddition is of value. Magnetic polymer nanoparticles-supported imidazole tribromide zinc ionic liquid catalysts, incorporating N-functional hydrogen bond donors (HBD), was successfully accomplished. The correlation between the N-functional HBD and catalytic activity was thoroughly investigated through experimental studies and DFT calculations. The catalyst featuring a secondary amine group (NHM) demonstrated remarkable catalytic performance in CO<sub>2</sub> cycloaddition reactions. Under optimized conditions, including 0.12 mol% catalyst dose, 100 °C, and <span><math><mrow><msub><mi>n</mi><mrow><mi>PO</mi></mrow></msub><mo>:</mo><msub><mi>n</mi><msub><mrow><mi>CO</mi></mrow><mn>2</mn></msub></msub></mrow></math></span> = 1:1.2 for 3 h, a complete conversion was achieved. The exceptional performance of the catalyst was attributed to the multicenter synergistic effect, arising from the appropriate electronegativity, minimal spatial site resistance, a balanced distance between the NHM and imidazolium ion, and the presence of multiple active centers (NHM, Zn<sup>2+</sup>, and Br<sup>−</sup>). The integration of a magnetic component enabled swift separation and exceptional recovery stability over 8 consecutive cycles.</p></div>\",\"PeriodicalId\":271,\"journal\":{\"name\":\"Chemical Engineering Science\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.1000,\"publicationDate\":\"2024-09-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S0009250924010315/pdfft?md5=6428d5caf103e050296bb9a81fe375e2&pid=1-s2.0-S0009250924010315-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Engineering Science\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0009250924010315\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Engineering Science","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009250924010315","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
Regulating the N-functional hydrogen bond donors over magnetic nanoparticles supported imidazole tribromide zinc ionic liquid for CO2 cycloaddition
The design of catalysts for the mile production of cyclic carbonates by CO2 cycloaddition is of value. Magnetic polymer nanoparticles-supported imidazole tribromide zinc ionic liquid catalysts, incorporating N-functional hydrogen bond donors (HBD), was successfully accomplished. The correlation between the N-functional HBD and catalytic activity was thoroughly investigated through experimental studies and DFT calculations. The catalyst featuring a secondary amine group (NHM) demonstrated remarkable catalytic performance in CO2 cycloaddition reactions. Under optimized conditions, including 0.12 mol% catalyst dose, 100 °C, and = 1:1.2 for 3 h, a complete conversion was achieved. The exceptional performance of the catalyst was attributed to the multicenter synergistic effect, arising from the appropriate electronegativity, minimal spatial site resistance, a balanced distance between the NHM and imidazolium ion, and the presence of multiple active centers (NHM, Zn2+, and Br−). The integration of a magnetic component enabled swift separation and exceptional recovery stability over 8 consecutive cycles.
期刊介绍:
Chemical engineering enables the transformation of natural resources and energy into useful products for society. It draws on and applies natural sciences, mathematics and economics, and has developed fundamental engineering science that underpins the discipline.
Chemical Engineering Science (CES) has been publishing papers on the fundamentals of chemical engineering since 1951. CES is the platform where the most significant advances in the discipline have ever since been published. Chemical Engineering Science has accompanied and sustained chemical engineering through its development into the vibrant and broad scientific discipline it is today.