Kamlet–Taft Parameters of Deep Eutectic Solvents and Their Relationship with Dissolution of Main Lignocellulosic Components

Deep eutectic solvents (DESs) have attracted significant interest in dissolving lignocellulosic components. However, revealing the relationship between the solvation properties of DESs and their ability to dissolve lignocellulosic components remains a significant challenge. Herein, 56 DESs were prepared and applied to dissolve lignocellulosic components. This revealed that the Kamlet–Taft parameters (i.e., α, β, and π*) were significantly affected by the structures of DESs. More notably, the correlation between Kamlet–Taft parameters and solubility varied with DESs and lignocellulosic components. Concretely, DESs have greater values of β and β–α (net basicity), are expected to dissolve cellulose efficiently, have greater net basicity, and are favorable to dissolve lignin, and the solubility of xylan was linearly correlated with the β value. These findings provided valuable information and necessary theoretical guidance on designing robust DESs to dissolve lignocellulosic components based on Kamlet–Taft solvatochromic parameters.