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. This journal is