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

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

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 of interactions between the [Li(glyme)]+ complex and [TFSA]- anion and diffusion of ions in the equimolar mixtures.