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首页> 外文期刊>Applied Catalysis, A. General: An International Journal Devoted to Catalytic Science and Its Applications >A non-metal Acen-H catalyst for the chemical fixation of CO2 into cyclic carbonates under solvent- and halide-free mild reaction conditions
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A non-metal Acen-H catalyst for the chemical fixation of CO2 into cyclic carbonates under solvent- and halide-free mild reaction conditions

机译：在无溶剂和无卤的温和反应条件下将CO2的化学固定成循环碳酸盐的非金属AcEn-H催化剂

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摘要

A metal-free Acen-H catalyst was effectively synthesized by a single step reflux method and successfully tested for the cycloaddition of CO2 with epoxides to synthesize cyclic carbonates. The Acen-H catalyst exhibited high activity and selectivity for the cycloaddition reaction in the absence of co-catalysts (halides) and solvents at mild reaction conditions of a reaction temperature of 110 degrees C and a reaction pressure of 1 MPa. Under the optimized reaction conditions, some of the epoxides were successfully converted into corresponding cyclic carbonates with a highest yield of similar to 98.5%. The composition and structure of the homogeneous catalyst was then systematically evaluated and the reaction kinetics and a plausible reaction mechanism for the cycloaddition of CO2 with epoxides were proposed. The density functional theory (DFT) calculation provided a corroborated elucidation for the proposed mechanism. The catalytic activity of the Acen-H catalyst was found to be originated from the active hydrogen bond donors (-O-H, =N-H) and imino groups present (-N=) in it, which played a synergistic role in the adsorption and activation of reactants as confirmed by the DFT studies. The structural characteristics of the catalyst was found to be crucial for the cycloaddition of CO2 with epoxides.
机译：通过单步回流方法有效地合成无金属AcEn-H催化剂，并用环氧化物成功地测试CO 2的环加成，以合成环碳酸酯。 AcEn-H催化剂在不存在助催化剂（卤化物）和在60℃的反应温度和1MPa的反应压力的温和反应条件下，对环加成反应的高活性和选择性。在优化的反应条件下，一些环氧化物成功地转化为相应的环状碳酸盐，最高收率与98.5％相似。然后，提出了均相催化剂的组成和结构，并提出了反应动力学及其具有环氧化物环加成的反应动力学和可粘合的反应机理。密度函数理论（DFT）计算提供了提出机制的腐败阐明。发现AcEn-H催化剂的催化活性源自存在于其中（-N =）的活性氢键供体（-OH，= NH）和亚氨基，这在吸附和活化中起着协同作用由DFT研究证实的反应物。发现催化剂的结构特征对于用环氧化物的CO 2环加成至关重要。

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