Computational investigation of the microstructural characteristics and physical properties of glycerol-based deep eutectic solvents.

Recently, there has been significant interest in the possibility of using deep eutectic solvents (DESs) as novel green media and alternatives to conventional solvents and ionic liquids (ILs) in many applications. Due to their attractive properties, such as their biodegradability, low cost, easy preparation, and nontoxicity, DESs appear to be very promising solvents for use in the field of green chemistry. This computational study investigated six glycerol-based DESs: DES (glycerol:methyl triphenyl phosphonium bromide), DES (glycerol:benzyl triphenyl phosphonium chloride), DES (glycerol:allyl triphenyl phosphonium bromide), DES (glycerol:choline chloride), DES (glycerol:N,N-diethylethanolammonium chloride), and DES (glycerol:tetra-n-butylammonium bromide).

RETRACTED: Neoteric FT-IR investigation on the functional groups of phosphonium-based deep eutectic solvents.

Deep eutectic solvents (DESs) are novel solvent media that are currently under investigation as an alternative to ionic liquids and conventional solvents. The physical properties of DESs as well as their mild environmental footprint and potentially critical industrial application necessitate understanding the interaction of functional groups on both the salt and hydrogen bond donor (HBD). In this study, four DESs were prepared by mixing triethylenglycol, diethylenglycol, ethylenglycol, and glycerol as HBDs with methyltriphenylphosphonium bromide as a salt at a molar ratio of 1:4.