Table 1.
Calculated HOMO–LUMO energy of the RTIL, NO and RTIL–NO.
| Compound | EHOMO (Hartree) | ELUMO (Hartree) |
|---|---|---|
| EMIM[BF4] | − 0.40587 | − 0.03340 |
| NO | + 0.02623 | + 0.36548 |
| EMIM[BF4]-NO | − 0.03848 | − 0.13730 |
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