The formation and extractive desulfurization (EDS) mechanisms of aromatic acid based deep eutectic solvents (DESs) were studied experimentally and through quantum chemistry calculations. Hydrogen bonding and van der Waals forces were investigated as the driving forces for the formation of aromatic acid based DESs by means of H NMR and FTIR spectroscopy, and DFT calculations. The driving forces of EDS were also studied. The results showed that van der Waals forces and other weak interactions were the main diving forces for EDS, and the structures of the aromatic acid based DESs did not change after EDS. The interaction energy between the aromatic acid based DESs and thiophene (TH), benzothiophene (BT), and dibenzothiophene (DBT) were calculated by DFT to understand the EDS order: TH
A group of new aromatic acid‐based DESs were synthesized and studied as extraction desulfurizer by experimental studies and quantum chemical calculations. The van der Waals forces and other weak interactions between the aromatic acid‐based DESs and sulfur compounds are the main driving forces for extractive desulfurization. More information can be found in the Full Paper by F. Yu, C. Xie et al. on page 11021.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.