Theoretical evidence of charge transfer interaction between SO2 and deep eutectic solvents formed by choline chloride and glycerol

Hongping Li, Yonghui Chang, Wenshuai Zhu, Changwei Wang, Chao Wang, Sheng Yin, Ming Zhang, Huaming Li
2015 Physical Chemistry, Chemical Physics - PCCP  
The nature of the interaction between deep eutectic solvents (DESs), formed by ChCl and glycerol, and SO2 has been systematically investigated using the M06-2X density functional combined with cluster models.
doi:10.1039/c5cp04172d pmid:26446782 fatcat:yyoeuer5jjbftih4ed77buzw6i