Deep eutectic solvent is a mixture of two or more components, mixed in a certain molar ratio, such that the mixture melts at a temperature lower than individual substances. In this work, we have used a combination of ultrafast vibrational spectroscopy and molecular dynamics simulations to investigate the microscopic structure and dynamics of a deep eutectic solvent (1:2 choline chloride: ethylene glycol) at and around the eutectic composition. In particular, we have compared the spectral diffusion and orientational relaxation dynamics of these systems with varying compositions. Our results show that although the time-averaged solvent structures around a dissolved solute are comparable across compositions, both the solvent fluctuations and solute reorientation dynamics show distinct differences. We show that these subtle changes in solute and solvent dynamics with changing compositions arise from the variations in the fluctuations of the different intercomponent hydrogen bonds.
Does variation in composition affect dynamics when approaching the eutectic composition?
Note: This paper is part of the JCP Special Topic on Celebrating 25 Years of Two-dimensional Infrared (2D IR) Spectroscopy.
Srijan Chatterjee, Tubai Chowdhury, Sayan Bagchi; Does variation in composition affect dynamics when approaching the eutectic composition?. J. Chem. Phys. 21 March 2023; 158 (11): 114203. https://doi.org/10.1063/5.0139153
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