The effects of acetate anion on cellulose dissolution and reaction in imidazolium ionic liquids

Quantum mechanical calculations were carried out to determine the mechanisms for the superiority of the imidazolium acetate-based ionic liquids to the corresponding chloride-based ionic liquids. Our results indicate that the imidazolium cation can react with the acetate anion to generate a carbene, a highly reactive intermediate. The carbene produced then reacts with cellulose to facilitate its dissolution in the ionic liquid solvents in...