Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions
Figure 6
Plot of calculated (PM3) of the cation versus electrochemical window of the ionic liquid: blue: anion BF4−; pink: anion (CF3SO2)2N−. The correlation coefficients are 0.91 (anion = BF4−) and 0.99 (anion = (CF3SO2)2N−).