Research Article
Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions
Table 1
of several ionic liquids and
of the cations only (calculated at PM3 level).
| | Ionic liquid | (ionic liquid) [eV] | (cation) [eV] |
| | 1-butylpyridinium tetrafluoroborate | −2.31 | −5.78 | | 1-butyl-3-methylimidazolium tetrafluoroborate | −1.39 | −4.95 | | 1-butyl-2,3-dimethylimidazolium tetrafluoroborate | −1.46 | −4.84 | | 1,1-butylmethylpyrrolidinium tetrafluoroborate | −0.63 | −4.21 |
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