4.6 Article

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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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 17, 期 1, 页码 126-129

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cp04718d

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  1. ALCA program of the Japan Science and Technology Agency (JST)

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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.

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