Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions
Figure 4
Plot of calculated (B3LYP method) of the cation versus electrochemical window of the ionic liquid: blue: anion BF4−; pink: anion (CF3SO2)2N−. The correlation coefficients are 0.98 (anion = BF4−) and 0.99 (anion = ((CF3SO2)2N−).