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

Seiji Tsuzuki; Wataru Shinoda; Masaru Matsugami; Yasuhiro Umebayashi; Kazuhide Ueno; Toshihiko Mandai; Shiro Seki; Kaoru Dokko; Masayoshi Watanabe

doi:10.1039/c4cp04718d

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

Seiji Tsuzuki, Wataru Shinoda, Masaru Matsugami, Yasuhiro Umebayashi, Kazuhide Ueno, Toshihiko Mandai, Shiro Seki, Kaoru Dokko, Masayoshi Watanabe

Research output: Contribution to journal › Article › peer-review

79 Citations (Scopus)

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.

Original language	English
Pages (from-to)	126-129
Number of pages	4
Journal	Physical Chemistry Chemical Physics
Volume	17
Issue number	1
DOIs	https://doi.org/10.1039/c4cp04718d
Publication status	Published - Jan 7 2015
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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Tsuzuki, S., Shinoda, W., Matsugami, M., Umebayashi, Y., Ueno, K., Mandai, T., Seki, S., Dokko, K., & Watanabe, M. (2015). Structures of [Li(glyme)]⁺ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: Analysis by molecular dynamics simulations. Physical Chemistry Chemical Physics, 17(1), 126-129. https://doi.org/10.1039/c4cp04718d

Structures of [Li(glyme)]⁺ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: Analysis by molecular dynamics simulations. / Tsuzuki, Seiji; Shinoda, Wataru; Matsugami, Masaru et al.
In: Physical Chemistry Chemical Physics, Vol. 17, No. 1, 07.01.2015, p. 126-129.

Research output: Contribution to journal › Article › peer-review

Tsuzuki, S, Shinoda, W, Matsugami, M, Umebayashi, Y, Ueno, K, Mandai, T, Seki, S, Dokko, K & Watanabe, M 2015, 'Structures of [Li(glyme)]⁺ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: Analysis by molecular dynamics simulations', Physical Chemistry Chemical Physics, vol. 17, no. 1, pp. 126-129. https://doi.org/10.1039/c4cp04718d

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AU - Umebayashi, Yasuhiro

AU - Ueno, Kazuhide

AU - Mandai, Toshihiko

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AU - Dokko, Kaoru

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

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