01603nas a2200169   4500008004100000022001400041245009300055210006900148260000800217300001100225490000800236520100800244100002301252700002101275700001801296856011901314       2023                        eng d  a0021-960600aDoes variation in composition affect dynamics when approaching the eutectic composition?0 aDoes variation in composition affect dynamics when approaching t  cMAR  a1142030 v1583 a<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>
1 aChatterjee, Srijan1 aChowdhury, Tubai1 aBagchi, Sayan  uhttp://library.ncl.res.in/content/does-variation-composition-affect-dynamics-when-approaching-eutectic-composition01618nas a2200241   4500008004100000022001400041245007800055210006900133260000800202300001100210490000800221520084700229100002201076700002501098700001801123700002301141700002101164700002701185700002201212700002301234700001801257856010101275       2023                        eng d  a1010-603000aSolvation structure and dynamics of a small ion in an organic electrolyte0 aSolvation structure and dynamics of a small ion in an organic el  cJUN  a1146660 v4403 a<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>
1 aKore, Shivshankar1 aSahoo, Rudhi, Ranjan1 aSantra, Binit1 aSarkar, Archishman1 aChowdhury, Tubai1 aDeshmukh, Samadhan, H.1 aHazarika, Sulagna1 aChatterjee, Srijan1 aBagchi, Sayan  uhttp://library.ncl.res.in/content/solvation-structure-and-dynamics-small-ion-organic-electrolyte