Issue 1, 2015

Structures of [Li(glyme)]+ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulations

Abstract

Molecular dynamics simulations of equimolar mixtures of glymes (triglyme and tetraglyme) and Li[TFSA] (lithium bis(trifluoromethylsulfonyl)amide) show that the glyme chain length affects the coordination geometries of Li+, which induces the changes in interactions between the [Li(glyme)]+ complex and [TFSA] anions and diffusion of ions in the equimolar mixtures.

Graphical abstract: Structures of [Li(glyme)]+ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulations

Supplementary files

Article information

Article type
Communication
Submitted
17 Oct 2014
Accepted
10 Nov 2014
First published
11 Nov 2014

Phys. Chem. Chem. Phys., 2015,17, 126-129

Author version available

Structures of [Li(glyme)]+ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulations

S. Tsuzuki, W. Shinoda, M. Matsugami, Y. Umebayashi, K. Ueno, T. Mandai, S. Seki, K. Dokko and M. Watanabe, Phys. Chem. Chem. Phys., 2015, 17, 126 DOI: 10.1039/C4CP04718D

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