Next Article in Journal / Special Issue
Hydrides as High Capacity Anodes in Lithium Cells: An Italian “Futuro in Ricerca di Base FIRB-2010” Project
Previous Article in Journal
Tie-Up Cycles in Long-Term Mating. Part II: Fictional Narratives and the Social Cognition of Mating
Previous Article in Special Issue
Ionic Mobility and Phase Transitions in Perovskite Oxides for Energy Application
Article Menu

Export Article

Open AccessArticle
Challenges 2017, 8(1), 7;

A Study of the Conformers of the (Nonafluorobutanesulfonyl)imide Ion by Means of Infrared Spectroscopy and Density Functional Theory (DFT) Calculations

Consiglio Nazionale delle Ricerche, Istituto dei Sistemi Complessi, U.O.S. La Sapienza, Piazzale A. Moro 5, 00185 Roma, Italy
Physics Department, Sapienza University of Rome, Piazzale A. Moro 5, 00185 Rome, Italy
Materials and Physicochemical Processes Laboratory (SSPT-PROMAS-MATPRO), ENEA (Italian National Agency for New Technologies, Energy and Sustainable Economic Development), Via Anguillarese 301, 00123 Rome, Italy
Author to whom correspondence should be addressed.
Academic Editor: Palmiro Poltronieri
Received: 30 January 2017 / Revised: 16 February 2017 / Accepted: 20 February 2017 / Published: 22 February 2017
(This article belongs to the Special Issue Selected papers from Thematic Meeting “Materials for Energy”)
Full-Text   |   PDF [2204 KB, uploaded 22 February 2017]   |  


Pyrrolidinium-based ionic liquids with anions of the per(fluoroalkylsulfonyl)imide family are particularly interesting for their use as electrolytes in lithium batteries. These ions have several geometric isomers and the presence of different ion conformers and their distribution affects the ILs (Ionic liquids) physical and chemical properties. In the present work, we report the temperature dependence of the infrared spectra of the N-butyl-N-methyl-pyrrolidinium(trifluoromethanesulfonyl)(nonafluorobutanesulfonyl)imide (PYR14IM14) ionic liquid; DFT (Density Functional Theory) calculations performed with different models provides indications about the IM14 conformers and their vibrational spectra. Moreover the temperature dependence of the intensity of the lines identified as markers of different conformers provide indications about the conformers’ distribution and the difference of their enthalpy in the liquid phase. View Full-Text
Keywords: infrared spectra; ionic liquids; DFT calculations infrared spectra; ionic liquids; DFT calculations

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

Supplementary material


Share & Cite This Article

MDPI and ACS Style

Palumbo, O.; Trequattrini, F.; Appetecchi, G.B.; Paolone, A. A Study of the Conformers of the (Nonafluorobutanesulfonyl)imide Ion by Means of Infrared Spectroscopy and Density Functional Theory (DFT) Calculations. Challenges 2017, 8, 7.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Challenges EISSN 2078-1547 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top