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, Jr., Edward W.

doi:10.1063/1.5111643

Title: Structural Analysis of Ionic Liquids With Symmetric and Asymmetric Fluorinated Anions

Journal Article · Thu Aug 15 00:00:00 EDT 2019 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5111643· OSTI ID:1557109

Zhao, Man ^[1]; Wu, Boning ^[1]; Lall-Ramnarine, Sharon I. ^[2]; Ramdihal, Jasodra D. ^[2]; Papacostas, Kristina A. ^[2]; Fernandez, Eddie D. ^[2]; Sumner, Rawlric A. ^[2]; Margulis, Claudio J. ^[3];

^[4]; Castner, Jr., Edward W. ^[1]

Rutgers Univ., Piscataway, NJ (United States)
City Univ. (CUNY), Bayside, NY (United States). Queensborough Community College
Univ. of Iowa, Iowa City, IA (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Ionic liquids with relatively low viscosities and broad windows of electrochemical stability are often constructed by pairing asymmetric cations with bisfluorosulfonylimide (FSI-) or bistrifylimide (NTf$$-\atop{2}$$) anions. In this work, we systematically studied the structures of ILs with these anions and related perfluoro bis-sulfonylimide anions with asymmetry and/or longer chains: (fluorosulfonyl)( trifluoromethylsulfonyl)imide (BSI$$-\atop{0,1}$$), bis(pentafluoroethylsulfonyl)imide (BETI-), and (trifluoromethylsulfonyl)(nonafluorobutylsulfonyl)imide (BSI$$-\atop{1,4}$$) using high energy X-ray scattering and molecular dynamics (MD) simulations methods. 1- alkyl-3-methylimidazolium cations with short (ethyl, Im$$+\atop{2,1}$$) and longer (octyl, Im$$+\atop{1,8}$$) hydrocarbon chains were selected to examine how the sizes of nonpolar hydrocarbon and fluorous chains affect IL structures and properties. In comparison to these, we also computationally explored the structure of ionic liquids with anions having longer fluorinated tails.

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Research Organization:: Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012704

OSTI ID:: 1557109

Alternate ID(s):: OSTI ID: 1558137

Report Number(s):: BNL-211966-2019-JAAM

Journal Information:: Journal of Chemical Physics, Vol. 151, Issue 7; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 20 works

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37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ionic liquids

Title: Structural Analysis of Ionic Liquids With Symmetric and Asymmetric Fluorinated Anions

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