Transition of a Deep Eutectic Solution to Aqueous Solution: A Dynamical Perspective of the Dissolved Solute

Autor:	Srijan Chatterjee, Sayan Bagchi, Samadhan H. Deshmukh, Sushil S. Sakpal, Deborin Ghosh
Rok vydání:	2021
Předmět:	chemistry.chemical_compound Molecular dynamics Aqueous solution Solvation shell Nanostructure chemistry Solvation Infrared spectroscopy Thermodynamics General Materials Science Physical and Theoretical Chemistry Deep eutectic solvent Eutectic system
Zdroj:	The Journal of Physical Chemistry Letters. 12:8784-8789
ISSN:	1948-7185
DOI:	10.1021/acs.jpclett.1c02118
Popis:	Disruption of the deep eutectic solvent (DES) nanostructure around the dissolved solute upon addition of water is investigated by polarization-selective two-dimensional infrared spectroscopy and molecular dynamics simulations. The heterogeneous DES nanostructure around the solute is partially retained up to 41 wt % of added water, although water molecules are gradually incorporated in the solute's solvation shell even at lower hydration levels. Beyond 41 wt %, the solute is observed to be preferentially solvated by water. This composition denotes the upper hydration limit of the deep eutectic solvent above which the solute senses an aqueous solvation environment. Interestingly, our results indicate that the transition from a deep eutectic solvation environment to an aqueous one around the dissolved solute can happen at a hydration level lower than that reported for the "water in DES" to "DES in water" transition.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b0c5267ef28aabf8602554cb1a1e0b5 https://doi.org/10.1021/acs.jpclett.1c02118 Zobrazit plný text záznamu