Entry | Compound | MO | Energy level (eV) | Species |
1 | benzylamine | HOMO | −8.31 | Nucleophile |
2 | n-propylamine | HOMO | −8.44 | Nucleophile |
3 | n-butylamine | HOMO | −8.43 | Nucleophile |
4 | i-butylamine | HOMO | −8.45 | Nucleophile |
5 | p-chlorobenzaldehyde | LUMO | −0.10 | Electrophile |
6 | p-bromobenzaldehyde | LUMO | −0.13 | Electrophile |
7 | p-tolualdehyde | LUMO | 0.31 | Electrophile |
8 | p-anisaldehyde | LUMO | 0.49 | Electrophile |