O-Glycosidic bond exocyclic cleavage of difructose led by acidic proton migration: Density functional theory calculation study

► Glycosidic bond cleavage with water clusters or fructose. ► Energetic and structural details of proton catalytically separating difructose. ► A possible autocatalysis mechanism of difructose assisted by proton. ► The reaction barrier is much lower than directly breaking a covalent bond.