Table 5. Donor–acceptor interactions and their stabilization energies in NBO analysis for Ni-DAPH complex.
| Donor | Acceptor | Distances (Å) | E (2) kcal. mol−1 |
|---|---|---|---|
| LPO14 | LP*Ni 77 | 1.894 | 36.07 |
| LPO33 | LP*Ni 77 | 1.886 | 35.92 |
| LPO52 | LP*Ni 77 | 1.895 | 37.97 |
| LPO71 | LP*Ni 77 | 1.892 | 32.73 |
| Total energy | 142.69 |