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A detailed screening of differently substituted chiral and achiral (thio)urea-containing quaternary ammonium salts revealed their potential as catalysts for the CO2-fixation with epoxides to obtain cyclic carbonates in high yields under operationally simple atmospheric pressure conditions. Additional DFT calculations substantiate a mechanism involving an initial addition of the nucleophilic iodide counter anion of the ammonium salt to the H-bonding activated epoxide, followed by stepwise CO2-fixation and cyclization.Graphical abstract

(Thio)urea containing quaternary ammonium salts for the CO2-fixation with epoxides