Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions

Figure 1

Structure of [bmim⁺][BF₄ ⁻] showing the electrostatic potential projected on the van der Waals surface (surface = electron density of 0.002 e/au³, property = electrostatic potential). The electron density is high under the red positions and low under the blue positions, indicative for negative and positive parts of the molecular ensemble.