Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions

Man Zhao, Boning Wu, Sharon I. Lall-Ramnarine, Jasodra D. Ramdihal, Kristina A. Papacostas, Eddie D. Fernandez, Rawlric A. Sumner, Claudio J. Margulis, James F. Wishart, Ed Castner

Research output: Contribution to journalArticle

Abstract

Ionic liquids (ILs) with relatively low viscosities and broad windows of electrochemical stability are often constructed by pairing asymmetric cations with bisfluorosulfonylimide (FSI-) or bistriflimide (NTf2 -) anions. In this work, we systematically studied the structures of ILs with these anions and related perfluorobis-sulfonylimide anions with asymmetry and/or longer chains: (fluorosulfonyl)(trifluoromethylsulfonyl)imide (BSI0,1-), bis(pentafluoroethylsulfonyl)imide (BETI-), and (trifluoromethylsulfonyl) (nonafluorobutylsulfonyl)imide (BSI1,4-) using high energy X-ray scattering and molecular dynamics simulation methods. 1-alkyl-3-methylimidazolium cations with shorter (ethyl, Im2,1+) and longer (octyl, Im1,8+) hydrocarbon chains were selected to examine how the sizes of nonpolar hydrocarbon and fluorous chains affect IL structures and properties. In comparison with these, we also computationally explored the structure of ionic liquids with anions having longer fluorinated tails.

Original languageEnglish
Article number074504
JournalJournal of Chemical Physics
Volume151
Issue number7
DOIs
Publication statusPublished - Aug 21 2019

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Ionic Liquids
Imides
structural analysis
Structural analysis
Anions
imides
anions
liquids
Hydrocarbons
Cations
hydrocarbons
cations
X ray scattering
Molecular dynamics
asymmetry
Viscosity
viscosity
molecular dynamics
Computer simulation
scattering

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Zhao, M., Wu, B., Lall-Ramnarine, S. I., Ramdihal, J. D., Papacostas, K. A., Fernandez, E. D., ... Castner, E. (2019). Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions. Journal of Chemical Physics, 151(7), [074504]. https://doi.org/10.1063/1.5111643

Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions. / Zhao, Man; Wu, Boning; Lall-Ramnarine, Sharon I.; Ramdihal, Jasodra D.; Papacostas, Kristina A.; Fernandez, Eddie D.; Sumner, Rawlric A.; Margulis, Claudio J.; Wishart, James F.; Castner, Ed.

In: Journal of Chemical Physics, Vol. 151, No. 7, 074504, 21.08.2019.

Research output: Contribution to journalArticle

Zhao, M, Wu, B, Lall-Ramnarine, SI, Ramdihal, JD, Papacostas, KA, Fernandez, ED, Sumner, RA, Margulis, CJ, Wishart, JF & Castner, E 2019, 'Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions', Journal of Chemical Physics, vol. 151, no. 7, 074504. https://doi.org/10.1063/1.5111643
Zhao M, Wu B, Lall-Ramnarine SI, Ramdihal JD, Papacostas KA, Fernandez ED et al. Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions. Journal of Chemical Physics. 2019 Aug 21;151(7). 074504. https://doi.org/10.1063/1.5111643
Zhao, Man ; Wu, Boning ; Lall-Ramnarine, Sharon I. ; Ramdihal, Jasodra D. ; Papacostas, Kristina A. ; Fernandez, Eddie D. ; Sumner, Rawlric A. ; Margulis, Claudio J. ; Wishart, James F. ; Castner, Ed. / Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions. In: Journal of Chemical Physics. 2019 ; Vol. 151, No. 7.
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