How does the cation nature affect the DES structure?
Year: 2024
Type: article
Abstract: The structural properties of three deep eutectic solvents (DESs), namely a 1:2 mixture of urea and choline (Ch) chloride and two analogous DESs containing different cations in place of choline, namely benzyl(2-hydroxyethyl)dimethylammonium (BeH) and benzyltrimethylammonium (Be), were studied by means of Molecular Dynamics simulations. The presence or not of a hydroxyl group on the organic cation, as well as of a bulky substituent such as the benzyl one, was found to strongly affect the DES hydrogen bond network, giving rise to different three dimensional arrangements of all the species present in the systems.
Source: Chemical Physics Letters
Authors: Valentina Migliorati, Paola D’Angelo
Institution: Sapienza University of Rome
Language: English
Subfield: Catalysis
Field: Chemical Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $3,170
OpenAlex ID: W4404135773