  Electrolyte solutions based on the propylene carbonate (PC)-dimethoxyethane
(DME) mixtures are of significant importance and urgency due to emergence of
lithium-ion batteries. Solvation and coordination of the lithium cation in
these systems have been recently attended in detail. However, analogous
information concerning anions (tetrafluoroborate, hexafluorophosphate) is still
missed. This work reports PM7-MD simulations (electronic-structure level of
description) to include finite-temperature effects on the anion solvation
regularities in the PC-DME mixture. The reported result evidences that the
anions appear weakly solvated. This observation is linked to the absence of
suitable coordination sites in the solvent molecules. In the concentrated
electrolyte solutions, both BF4 and PF6 prefer to exist as neutral ion pairs
(LiBF4, LiPF6).
