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Solvation analysis of some Solvatochromic probes in binary mixtures of reline, ethaline, and glyceline with DMSO

Binary mixtures of solvents are widely used in chemical processes in order to tune the polarity properties of the media and to facilitate chemical and physical processes. In this study, deep eutectic solvents (DESs) were considered as new green media for chemical processes. Solvatochromic behavior was investigated at 25 °C over the whole range of mole fractions of binary mixtures of dimethyl sulfoxide with urea-choline chloride (reline), ethylene glycol-choline chloride (ethaline), and glycerol-choline chloride (glyceline) with as common DESs. In these DESs the molar ratio of choline chloride to urea, ethylene glycol and glycerol is 1:2. Results showed that the polarity and hydrogen bond donor ability of the DESs decreases with increasing mole fraction of dimethyl sulfoxide as a molecular solvent, while hydrogen bond acceptor ability of the media increases with mole fraction of DMSO. Deviation from ideal behavior, observed for solvatochromic parameters, confirmed preferential solvation of the solutes in these media. On the other hand, molecular dynamic simulations and quantum mechanics calculations concluded interaction energies between DES components and showed clearly different compositions in the solvation shells of the solutes in the solvent mixtures.

Deep eutectic solventsSolvatochromic parametersPreferential solvation

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