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Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions
Journal article   Peer reviewed

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 and Edward W Castner Jr
The Journal of chemical physics, Vol.151(7), pp.074504-074504
08/21/2019
DOI: 10.1063/1.5111643
PMID: 31438705
url
https://www.osti.gov/servlets/purl/1557109View
Open Access

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 (NTf ) 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 (BSI ), bis(pentafluoroethylsulfonyl)imide (BETI ), and (trifluoromethylsulfonyl) (nonafluorobutylsulfonyl)imide (BSI ) using high energy X-ray scattering and molecular dynamics simulation methods. 1-alkyl-3-methylimidazolium cations with shorter (ethyl, Im ) and longer (octyl, Im ) 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.

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