TY - JOUR
T1 - Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions
AU - Zhao, Man
AU - Wu, Boning
AU - Lall-Ramnarine, Sharon I.
AU - Ramdihal, Jasodra D.
AU - Papacostas, Kristina A.
AU - Fernandez, Eddie D.
AU - Sumner, Rawlric A.
AU - Margulis, Claudio J.
AU - Wishart, James F.
AU - Castner, Edward W.
N1 - Funding Information:
Work at Rutgers was supported by the U.S. National Science Foundation, Grant No. CHE-1664809, and at Iowa by the NSF, Grant No. CHE-1664832. Support was provided through Grant No. NSF-CHE-1664809 for J.D.R., K.A.P., and E.D.F. (Fall 2016 and Spring 2017) and for S.I.L.-R (one month summer 2015, 2016, and 2017). We thank the NYC Louis Stokes Alliance for Minority Participation for partial academic year student internship support (E.D.F.) and the Transfer CUNY Research Scholars Program (CRSP) at Queens College for partial academic year student internship support (2017-J.D.R. and R.A.S.). S.I.L.-R was partially supported by a CUNY Summer Collaborative Research Opportunities Grant (SCROG, SC12). The work at QCC was supported by a Professional Staff Congress of CUNY grant (PSC CUNY TRADA-48, 60448-00 48).
Funding Information:
Work at BNL (J.F.W.) was supported by the U.S. Department of Energy (DOE) Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, under Contract No. DE-SC0012704. Summer CCI and SULI student internships at BNL were supported by the BNL Office of Educational Programs and the DOE Office of Workforce Development for Teachers and Scientists (J.D.R., K.A.P., E.D.F., and R.A.S.). This research used resources of the Advanced Photon Source, a U.S. Department of Energy Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Data were obtained at APS beamlines 11-ID-B. The authors also thank Kevin Beyer, Dr. Olaf Borkiewicz, and Dr. Karena Chapman for their assistance with the collection and analysis of these data.
Publisher Copyright:
© 2019 Author(s).
PY - 2019/8/21
Y1 - 2019/8/21
N2 - 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.
AB - 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.
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U2 - 10.1063/1.5111643
DO - 10.1063/1.5111643
M3 - Article
C2 - 31438705
AN - SCOPUS:85071262902
SN - 0021-9606
VL - 151
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 7
M1 - 074504
ER -