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

DOI: 10.1039/C9CP03927A DOI Help

Authors: Alessandro Triolo (Consiglio Nazionale delle Ricerche, (ISM-CNR)) , Fabrizio Lo Celso (Università di Palermo) , Carlo Ottaviani (Consiglio Nazionale delle Ricerche, (ISM-CNR)) , Pengju Ji (Tsinghua University) , Giovanni Battista Appetecchi (ENEA, SSPT-PROMAS-MATPRO Technical Unit) , Francesca Leonelli (University of Rome Sapienza) , Dean S. Keeble (Diamond Light Source) , Olga Russina (University of Rome Sapienza)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Chemistry Chemical Physics

State: Published (Approved)
Published: October 2019
Diamond Proposal Number(s): 21486

Abstract: Protic Ionic Liquids (PIL) prepared from 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), have been prepared ([DBUH][TfO] and [DBUH][IM14], respectively; the latter for the first time) and their chemical physical properties and structural features 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 at ambient conditions, where these compounds are proposed for a variety of applications. Similarly 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 of the existence of fluorous domains in [DBUH][IM14], thus potentially extending the range of applications for these PILs.

Subject Areas: Chemistry

Instruments: I15-1-X-ray Pair Distribution Function (XPDF)