Flexibility is the key to tuning the transport properties of fluorinated imide-based ionic liquids

被引:21
作者
Philippi, Frederik [1 ]
Rauber, Daniel [2 ]
Palumbo, Oriele [3 ]
Goloviznina, Kateryna [4 ,10 ]
McDaniel, Jesse [5 ]
Pugh, David [6 ]
Suarez, Sophia [7 ]
Fraenza, Carla C. [8 ]
Padua, Agilio [4 ]
Kay, Christopher W. M. [2 ,9 ]
Welton, Tom [1 ]
机构
[1] Imperial Coll London, Dept Chem, Mol Sci Res Hub, White City Campus, London W12 0BZ, England
[2] Saarland Univ, Dept Chem, Campus B2-2, Saarbrucken, Germany
[3] CNR, Ist Sistemi Complessi, Piazzale Aldo Moro 5, I-00185 Rome, Italy
[4] Ecole Normale Super Lyon, CNRS, Lab Chim, F-69364 Lyon, France
[5] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA
[6] Kings Coll London, Dept Chem, 7 Trinity St, London SE1 1DB, England
[7] CUNY Brooklyn Coll, Dept Phys, Brooklyn, NY 11210 USA
[8] CUNY Hunter Coll, Dept Phys & Astron, New York, NY 10065 USA
[9] UCL, London Ctr Nanotechnol, 17-19 Gordon St, London WC1H 0AH, England
[10] Sorbonne Univ, CNRS, Physicochim Electrolytes & Nanosyst Interfaciaux, PHENIX, F-75005 Paris, France
关键词
MOLECULAR-DYNAMICS; RELAXATION DYNAMICS; CRYSTAL-STRUCTURES; DESIGNER SOLVENTS; FORCE-FIELD; TEMPERATURE; ANION; RANGE; YTTERBIUM(III); SPECTROSCOPY;
D O I
10.1039/d2sc03074h
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Ionic liquids are becoming increasingly popular for practical applications such as biomass processing and lithium-ion batteries. However, identifying ionic liquids with optimal properties for specific applications by trial and error is extremely inefficient since there are a vast number of potential candidate ions. Here we combine experimental and computational techniques to determine how the interplay of fluorination, flexibility and mass affects the transport properties of ionic liquids with the popular imide anion. We observe that fluorination and flexibility have a large impact on properties such as viscosity, whereas the influence of mass is negligible. Using targeted modifications, we show that conformational flexibility provides a significant contribution to the success of fluorination as a design element. Contrary to conventional wisdom, fluorination by itself is thus not a guarantor for beneficial properties such as low viscosity.
引用
收藏
页码:9176 / 9190
页数:15
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