Literature DB >> 25407234

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

Seiji Tsuzuki1, Wataru Shinoda, Masaru Matsugami, Yasuhiro Umebayashi, Kazuhide Ueno, Toshihiko Mandai, Shiro Seki, Kaoru Dokko, Masayoshi Watanabe.   

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.

Entities:  

Year:  2015        PMID: 25407234     DOI: 10.1039/c4cp04718d

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  6 in total

1.  Development of an AMBER-compatible transferable force field for poly(ethylene glycol) ethers (glymes).

Authors:  Nathalia S V Barbosa; Yong Zhang; Eduardo R A Lima; Frederico W Tavares; Edward J Maginn
Journal:  J Mol Model       Date:  2017-05-26       Impact factor: 1.810

2.  Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality?

Authors:  Alejandro A Franco; Alexis Rucci; Daniel Brandell; Christine Frayret; Miran Gaberscek; Piotr Jankowski; Patrik Johansson
Journal:  Chem Rev       Date:  2019-03-12       Impact factor: 60.622

3.  Physicochemical compatibility of highly-concentrated solvate ionic liquids and a low-viscosity solvent.

Authors:  Keitaro Takahashi; Yuki Ishino; Wataru Murata; Yasuhiro Umebayashi; Seiji Tsuzuki; Masayoshi Watanabe; Hiromitsu Takaba; Shiro Seki
Journal:  RSC Adv       Date:  2019-08-12       Impact factor: 3.361

Review 4.  Lewis Acidic Ionic Liquids.

Authors:  Lucy C Brown; James M Hogg; Małgorzata Swadźba-Kwaśny
Journal:  Top Curr Chem (Cham)       Date:  2017-08-21

5.  Remarkable Effect of [Li(G4)]TFSI Solvate Ionic Liquid (SIL) on the Regio- and Stereoselective Ring Opening of α-Gluco Carbasugar 1,2-Epoxides.

Authors:  Sebastiano Di Pietro; Vittorio Bordoni; Andrea Mezzetta; Cinzia Chiappe; Giovanni Signore; Lorenzo Guazzelli; Valeria Di Bussolo
Journal:  Molecules       Date:  2019-08-14       Impact factor: 4.411

6.  Ionic liquid-containing cathodes empowering ceramic solid electrolytes.

Authors:  Eric Jianfeng Cheng; Mao Shoji; Takeshi Abe; Kiyoshi Kanamura
Journal:  iScience       Date:  2022-02-11
  6 in total

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