Anion Conformation of Low-Viscosity Room-Temperature Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(fluorosulfonyl) Imide

Fujii, K.; Seki, Shiro; Fukuda, Sho; Kanzaki, Ryo; Takamuku, Toshiyuki; Umebayashi, Yasuhiro; Ishiguro, Shin‐ichi

doi:10.1021/jp074325e

Cited by 137 publications

(204 citation statements)

References 20 publications

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“…In bmimNTf 2 spectra S=O, N-S, C-F and C-S bond found to be at 1281 cm -1 , 1195 cm -1 , 1122 cm -1 and 1046cm -1 . [37] In bmimPF 6 , P-F symmetric and asymmetric stretching found at 827 cm -1 and 841 cm -1 respectively. In bmimBF 4 , B-F stretching (vertical) found at 1174 cm -1 and B-F stretching (in plane) found at 1009 cm -1 and 975 cm -1 .…”

Section: Calculated Vibrational Spectra Analysis and Its Correlationmentioning

confidence: 92%

Interactions and Transitions in Imidazolium Cation Based Ionic Liquids

Shukla¹,

Srivastava²,

Saha³

2011

Ionic Liquids - Classes and Properties

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Section: Calculated Vibrational Spectra Analysis and Its Correlationmentioning

confidence: 92%

Interactions and Transitions in Imidazolium Cation Based Ionic Liquids

Shukla¹,

Srivastava²,

Saha³

2011

Ionic Liquids - Classes and Properties

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“…S-F dihedral angle) conformers. 21,43,49 Both anion conformers were tested by examining Li-(FSI) 2 complexes ( Fig. 1e-1g) in which the Li + cations are coordinated by oxygen atoms from two FSI − anions and the anions adopt (C 2 ,C 2 ), (C 1 ,C 2 ) and (C 1 ,C 1 ) conformations, respectively.…”

Section: Methodsmentioning

confidence: 99%

Electrolyte Solvation and Ionic Association

Han

Borodin

Seo

et al. 2014

J. Electrochem. Soc.

116

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Electrolytes with the salt lithium bis(fluorosulfonyl)imide (LiFSI) have been evaluated relative to comparable electrolytes with other lithium salts. Acetonitrile (AN) has been used as a model electrolyte solvent due to the simplicity of its solvation interactions (the AN molecule has only a single electron lone-pair for Li + cation coordination). The information obtained from the thermal phase behavior, solvation/ionic association interactions, quantum chemical (QC) calculations and molecular dynamics (MD) simulations (with an APPLE&P many-body polarizable force field for the LiFSI salt) of the (AN) n -LiFSI mixtures provides detailed insight into the coordination interactions of the FSI − anions and the wide variability noted in the electrolyte transport properties (i.e., viscosity and ionic conductivity). was first reported in a patent application in 1995 which indicated a method for its synthesis.1 Its use in research studies, however, has been restricted until quite recently due to the limited availability and high cost of this salt. A limited number of publications have been reported about the use of the FSI − anion for electrolytes in recent years, 2-55 but many of these have focused on FSI − -based ionic liquids instead of the LiFSI salt. Recent papers, however, indicate that battery electrolytes with LiFSI have very promising properties-i.e., a relatively high thermal and hydrolytic stability (relative to LiPF 6 ), a high conductivity (comparable to electrolytes with LiPF 6 ) and a wide liquidus range. 2-18One key concern originated from reports which indicated that the use of the LiFSI salt in electrolytes results in severe corrosion of the battery Al current collector at high potentials. 3,15 It has recently been demonstrated, however, that this was likely due to chloride impurities in the salt (from the synthesis procedures) rather than the LiFSI salt itself. 12To fully capitalize upon the use of LiFSI as an alternative lithium salt for advanced lithium batteries, it is necessary to understand the behavior of this salt in bulk electrolyte solutions. The preceding work in this series of publications has scrutinized the relationship between the solution structure and transport properties of electrolytes in detail. 56-59The present study extends this focus to acetonitrile-based (AN) n -LiFSI electrolytes to better understand the characteristics of this relatively * Electrochemical Society Student Member.* * Electrochemical Society Active Member. z E-mail: Wesley.Henderson@pnnl.gov; oleg.a.borodin.civ@mail.mil new electrolyte salt. Of particular interest are the recent reports which noted that highly concentrated (AN) n -LiTFSI and -FSI electrolytes have a high electrochemical stability to reduction at negative potentials (in sharp contrast to more dilute solutions with nitrile solvents) which allows for the rapid and reversible charging/discharging of graphitic electrodes. 5,60 ExperimentalMaterials.-Anhydrous AN (Sigma-Aldrich, 99.8%) and LiFSI (Suzhou Fluolyte Co., Ltd., >99.5%) were used as-received....

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“…DFOB also induces a rather low density. TDI and DFOB are rigid anions as both incorporate a planar moiety, whereas FSI [39] and TFSI [40] have high conformational flexibility. It probably results, in addition to their own 'intrinsic' lower density, in a denser packing around solvated Li + .…”

Section: Density Viscosity and Conductivitymentioning

confidence: 99%

Towards practical sulfolane based electrolytes: Choice of Li salt for graphite electrode operation

Zhang

Porcher

Paillard

2018

Journal of Power Sources

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Abstract:Sulfolane (tetramethylene sulfone, SL) is known for leading to Li-ion electrolytes with high anodic stability. However, the operation of graphite electrodes in alternative electrolytes is usually challenging, especially when ethylene carbonate (EC) is not used as co-solvent. Thus, we study here the influence of the lithium salt on the physico-chemical and electrochemical properties of EC-free SL-based electrolytes and on the performance of graphite electrodes based on carboxymethyl cellulose (CMC). SL mixed with dimethyl carbonate (DMC) leads to electrolytes as conductive as state-of-theart alkyl carbonate-based electrolytes with wide electrochemical stability windows. The compatibility with graphite electrodes depends on the Li salt used and, even though cycling is possible with most salts, lithium difluoro-oxalato borate (LiDFOB) is especially interesting for graphite operation.LiDFOB electrolytes are conductive at room temperature (ca. 6 mS cm -1 ) with an anodic stability slightly below 5 V vs. Li/Li + on particulate carbon black electrodes. In addition, it allows cycling graphite electrodes with steady capacity and high coulombic efficiency without any additive. The testing of graphite electrodes in half-cells is, however, problematic with SL:DMC mixtures and, by switching the Li metal counter electrode for LiFePO4, the graphite electrode achieves better practical performance in terms of rate capability.

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Anion Conformation of Low-Viscosity Room-Temperature Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(fluorosulfonyl) Imide

Cited by 137 publications

References 20 publications

Interactions and Transitions in Imidazolium Cation Based Ionic Liquids

Interactions and Transitions in Imidazolium Cation Based Ionic Liquids

Electrolyte Solvation and Ionic Association

Towards practical sulfolane based electrolytes: Choice of Li salt for graphite electrode operation

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