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.
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21 March 2023
Research Article|
March 17 2023
Does variation in composition affect dynamics when approaching the eutectic composition?
Special Collection:
Celebrating 25 Years of Two-dimensional Infrared (2D IR) Spectroscopy
Srijan Chatterjee
;
Srijan Chatterjee
(Conceptualization, Data curation, Methodology, Writing – original draft)
1
Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory
, Pune 411008, India
2
Academy of Scientific and Innovative Research (AcSIR)
, Ghaziabad 201002, India
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Tubai Chowdhury
;
Tubai Chowdhury
(Data curation)
1
Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory
, Pune 411008, India
2
Academy of Scientific and Innovative Research (AcSIR)
, Ghaziabad 201002, India
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Sayan Bagchi
Sayan Bagchi
a)
(Conceptualization, Writing – original draft, Writing – review & editing)
1
Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory
, Pune 411008, India
2
Academy of Scientific and Innovative Research (AcSIR)
, Ghaziabad 201002, India
a)Author to whom correspondence should be addressed: bagchi@ncl.res.in
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a)Author to whom correspondence should be addressed: bagchi@ncl.res.in
Note: This paper is part of the JCP Special Topic on Celebrating 25 Years of Two-dimensional Infrared (2D IR) Spectroscopy.
J. Chem. Phys. 158, 114203 (2023)
Article history
Received:
December 18 2022
Accepted:
February 21 2023
Citation
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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