Ionic liquids(ILs),with stable physical and chemical properties,low volatility,and adjustable structure and function,have been widely used in the cycloaddition reaction of CO2.As a novel research tool,theoretical calculations help to explain experimental phenomena and reveal reaction mechanisms from a certain perspective,providing theoretical guidance and direction for new catalyst designs.In this paper,the progress of theoretical studies on the promotion of CO2 cycloaddition reactions by ILs in recent years was reviewed from the perspectives of both homogeneous and heterogeneous ILs systems,and an outlook on the future was proposed.
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