Relaxation dynamics in pyrrolidinium based ionic liquids: The role of the anion conformers

TitleRelaxation dynamics in pyrrolidinium based ionic liquids: The role of the anion conformers
Publication TypeArticolo su Rivista peer-reviewed
Year of Publication2017
AuthorsPalumbo, O., Trequattrini F., Appetecchi Giovanni Battista, Conte L., and Paolone A.
JournalJournal of Molecular Liquids
Volume243
Pagination9-13
ISSN01677322
KeywordsConformers, Density functional theory, Density of liquids, Hopping models, Ion dynamics, Ionic liquids, Ions, Liquids, Mechanical spectroscopy, Negative ions, Population statistics, Pyrrolidinium cations, Pyrrolidinium-based ionic liquid, Relaxation dynamics, Relaxation processes, Supercooled liquids, Supercooling
Abstract

We report density functional theory (DFT) calculations and low-frequency mechanical spectroscopy results on two ionic liquids having the same N-butyl-N-methyl-pyrrolidinium cation (PYR14), but different anions, (nonafluorobutanesulfonyl)(toluenesulfonyl)imide (IMT4) and 1,3 hexafluoropropane-disulfonylimide (IM3), belonging to the per(fluoroalkylsulfonyl)imide family. For both samples, a relaxation process is observed in their supercooled liquid phase, which can be described by a hopping model between non-equivalent configurations. In agreement with previous results, the relaxation is attributed to the ions motion. The comparison among calculations of the anion conformers population and the analysis of the experimental data points out that the non-equivalent configurations between which the ion motion occurs involve a different configuration for the anion. © 2017

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URLhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85026914600&doi=10.1016%2fj.molliq.2017.08.017&partnerID=40&md5=0a0e53f5977b565f37c0ca30e0336e15
DOI10.1016/j.molliq.2017.08.017