Solvation dynamics of choline fluoride in ethylene glycol – Water mixtures

Alfurayj, Ibrahim; Fraenza, Carla Cecilia; Pandian, Rathiesh; Greenbaum, Steve; Burda, Clemens

doi:10.1016/j.molliq.2023.123448

Solvation dynamics of choline fluoride in ethylene glycol – Water mixtures

Journal Article · Sun Oct 29 00:00:00 EDT 2023 · Journal of Molecular Liquids

DOI:https://doi.org/10.1016/j.molliq.2023.123448· OSTI ID:2329455

^[1]; Fraenza, Carla Cecilia ^[2]; ^[1]; ^[2]; ^[1]

Case Western Reserve University, Cleveland, OH (United States)
Hunter College, City University of New York, NY (United States)

Due to their favorable physical properties, deep eutectic solvents (DESs) have been of interest in many applications in the energy and industry sectors. In this study, we investigate the new deep eutectic solvent ethalineF (a 1:2 M ratio of choline fluoride:ethylene glycol) and the effect of water addition on the solvation dynamics compared to the better known ethaline (a 1:2 M ratio of choline chloride:ethylene glycol). Femtosecond transient absorption spectroscopy and NMR diffusometry were used to study the solvation dynamics. ¹⁹F NMR spectra were obtained for ethalineF solutions with different water additions. The ¹⁹F NMR spectra show two fluorine signals; one can be assigned to fluoride anions solvated by EG and the other signal to fluoride anions associated with the much heavier and less mobile choline cation. Density, viscosity, conductivity, and E_T(30) polarity measurements are also provided for ethalineF. The nuclear spin nature of fluorine atom permits to measure the self-diffusion coefficient of the negative ion in addition of the cation diffusion in a choline halide based deep eutectic solvent system. This allows to calculate the NMR-predicted conductivities σ_NMR. The obtained ion dissociation coefficients α_D at different water concentrations suggest a partial ion dissociation which was commensurate with the relatively low ion conductivity. Furthermore, the observed modest conductivity of ethalineF is explained in terms of ion association as well as the gradual increase in conductivity caused by the addition of water.

View Accepted Manuscript (DOE)

Research Organization:: Case Western Reserve University, Cleveland, OH (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019409

OSTI ID:: 2329455

Alternate ID(s):: OSTI ID: 2368985

Journal Information:: Journal of Molecular Liquids, Journal Name: Journal of Molecular Liquids Vol. 392; ISSN 0167-7322

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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