https://www.selleckchem.com/pr....oducts/ly3023414.htm
Chemical fixation of CO2 is an efficient means for decreasing amount of CO2 in the atmosphere. One of promising technologies is the cycloaddition of CO2 with epoxides to synthesize cyclic carbonates. In this reaction, ionic liquid (IL) catalysts show versatile and unique advantages. However, the reaction mechanism using ILs is not clear. In this work, a detailed theoretical investigation was performed by DFT calculations. The energetic profile shows that the reaction consists of three steps, with the ring-opening step being the rate-d
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