Quaternary ammonium room-temperature ionic liquid including an oxygen atom in side chain/lithium salt binary electrolytes: ab initio molecular orbital calculations of interactions between ions

Authors :: Tsuzuki, Seiji
Hayamizu, Kikuko
Seki, Shiro
Ohno, Yasutaka
Kobayashi, Yo
Miyashiro, Hajime
Source :: Journal of Physical Chemistry B. August 14, 2008, Vol. 112 Issue 32, 9914-9920
Publication Year :: 2008
Abstract: Ab initio molecular orbital calculations are used for studying the interactions of the lithium bis(trifluoromethylsulfonyl)amide (LiTFSA) complex with N,N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium (DEME), 1-ethyl-3-methylimidazolium (EMIM) cations, neutral dithylether (DEE) and the DEMETFSA complex. The attraction between the DEME cation and the LiTFSA complex has shown that the interaction between the Li cation and the oxygen atom of DEME cation has played key roles in determining the mobility of the Li cation in DEME-based room temperature ionic liquids.

Subjects :: Ammonium chloride -- Chemical properties
Ammonium chloride -- Atomic properties
Ammonium chloride -- Structure
Ammonium compounds -- Chemical properties
Ammonium compounds -- Atomic properties
Ammonium compounds -- Structure
Ammonium paratungstate -- Chemical properties
Ammonium paratungstate -- Atomic properties
Ammonium paratungstate -- Structure
Ionic liquids -- Chemical properties
Ionic liquids -- Atomic properties
Ionic liquids -- Structure
Lithium compounds -- Chemical properties
Lithium compounds -- Atomic properties
Lithium compounds -- Structure
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