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Structural features of selected protic ionic liquids based on a super-strong base

TitoloStructural features of selected protic ionic liquids based on a super-strong base
Tipo di pubblicazioneArticolo su Rivista peer-reviewed
Anno di Pubblicazione2019
AutoriTriolo, A., F. Celso Lo, Ottaviani C., Ji P., Appetecchi Giovanni Battista, Leonelli F., Keeble D.S., and Russina O.
RivistaPhysical Chemistry Chemical Physics
Parole chiaveCharge correlation, Chemical and physical properties, Computational tools, Hydrogen, Hydrogen bonding interactions, Hydrogen bonds, Ionic liquids, molecular dynamics, Protic ionic liquids, Short range ordering, Structural correlation, Trifluoromethane sulfonic acid

Protic ionic liquids (PIL) were prepared from a super-strong base 1,7-diazabicyclo[5.4.0]undec-7-ene (DBU) and super-strong acids, trifluoromethane sulfonic acid (TfOH), and (trifluoromethanesulfonyl)-(nonafluorobutylsulfonyl)imide, (IM14H), ([DBUH][TfO] and [DBUH][IM14], respectively; the latter for the first time) and their chemical and physical properties and structural features have been explored using a synergy of experimental and computational tools. The short range order in neat DBU, as well as the long range structural correlations induced by charge correlation and hydrogen bonding interactions in the ionic liquids, have been explored under ambient conditions, where these compounds are proposed for a variety of applications. Similar to other [DBUH]-based PILs, the probed ones behave as good ionic liquids. Molecular dynamics-rationalised X-ray diffraction patterns show the major role played by hydrogen bonding in affecting morphology in these systems. Additionally, we find further evidence for the existence of fluorous domains in [DBUH][IM14], thus potentially extending the range of applications for these PILs. © 2019 the Owner Societies.


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Citation KeyTriolo201925369