Donneurs (i) | Accepteurs (j) | E(2) (kcal/mol) | Ej − Ei (ua) | Fij (ua) |
σ (C3 - C4) | σ* (C2 - S14) | 5.09 | 0.90 | 0.060 |
π (C5 - C6) | π* (C1 - C2) | 20.59 | 0.26 | 0.068 |
LP (1) N13 | σ* (C7 - S14) | 14.99 | 0.56 | 0.082 |
LP (2) S14 | π* (C7 - N13) | 26.97 | 0.24 | 0.073 |