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Solvent-Free CO2 Fixation Reaction Catalyzed by MOFs Composites Containing Polycarboxylic Acid Ligands

机译:由MOFS复合材料催化的无溶剂二氧化碳固定反应

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摘要

Metal-Organic Frameworks (MOFs) have been used to catalyze the conversion of CO2 to cyclic carbonates through cyclo-addition reaction. A series of MOFs composites based on Cu-BTC (H3BTC, 1,3,5-Benzenetricarboxylic acid) were screened out by adjusting the ligands and loaded materials. Among them, Cu-BTC@ZnFe2O4 achieved good yields in this reaction, and after several catalytic cycles, the yield also remained above 90%. The larger the steric hindrance of epoxides used, the lower the yields of cycloaddition reaction. In addition, computational chemistry was used to explain this catalytic process. After adding the catalyst, the energy barrier of the initial step of the reaction was effectively reduced.
机译:金属有机框架(MOF)已被用来通过环氧化反应催化二氧化碳向环氧化碳酸盐的转化。 通过调整配体和装载材料来筛选一系列基于Cu-BTC(H3BTC,1,3,5-苯甲酸羧酸)的MOFS复合材料。 其中,Cu-BTC@ZnFe2O4在此反应中获得了良好的产率,经过几个催化循环,产量也保持在90%以上。 使用的环氧化物的空间障碍越大,环加成反应的产率就越低。 此外,计算化学被用来解释这种催化过程。 添加催化剂后,有效减少了反应的初始步骤的能屏障。

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