@article {48705,
	title = {Does variation in composition affect dynamics when approaching the eutectic composition?},
	journal = {Journal of Chemical Physics},
	volume = {158},
	year = {2023},
	month = {MAR},
	pages = {114203},
	type = {Article},
	abstract = {<p>
	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.</p>
},
	issn = {0021-9606},
	doi = {10.1063/5.0139153},
	author = {Chatterjee, Srijan and Chowdhury, Tubai and Bagchi, Sayan}
}
@article {48831,
	title = {Solvation structure and dynamics of a small ion in an organic electrolyte},
	journal = {Journal of Photochemistry and Photobiology A-Chemistry},
	volume = {440},
	year = {2023},
	month = {JUN},
	pages = {114666},
	type = {Article},
	abstract = {<p>
	Organic carbonates are commonly used as electrolytes in commercial lithium-ion batteries. A detailed interpretation of the solvation structure and dynamics of the electrolyte around ions is necessary to understand the charge/discharge process in batteries. This work combines infrared absorption spectroscopy with quantum chemical calculations and molecular dynamics simulations to decipher the solvation structure of propylene carbonate, a cyclic carbonate, around the dissolved thiocyanate ion. Two dimensional infrared spectroscopy and polarization-selective pump probe spectroscopies have been utilized to extract the timescales of solvent fluctuation and the solute reorientational dynamics. The similarity in the slow timescales for the solute and the solvent dynamics signifies that similar processes control both dynamics.</p>
},
	issn = {1010-6030},
	doi = {10.1016/j.jphotochem.2023.114666},
	author = {Kore, Shivshankar and Sahoo, Rudhi Ranjan and Santra, Binit and Sarkar, Archishman and Chowdhury, Tubai and Deshmukh, Samadhan H. and Hazarika, Sulagna and Chatterjee, Srijan and Bagchi, Sayan}
}
