Does variation in composition affect dynamics when approaching the eutectic composition?

TitleDoes variation in composition affect dynamics when approaching the eutectic composition?
Publication TypeJournal Article
Year of Publication2023
AuthorsChatterjee, S, Chowdhury, T, Bagchi, S
JournalJournal of Chemical Physics
Volume158
Issue11
Pagination114203
Date PublishedMAR
Type of ArticleArticle
ISSN0021-9606
Abstract

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.

DOI10.1063/5.0139153
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

4.4

Divison category: 
Physical and Materials Chemistry
Database: 
Web of Science (WoS)

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