Values of the HOMO, LUMO orbitales energies and the electrochemical gap energy for a selection of porphyrins species.
| Compound | E HOMO (eV) | E LUMO (eV) | E g-el (eV) | Ref. |
|---|---|---|---|---|
| Free base meso-arylporphyrins | ||||
| H2(TPP)a | −5.50 | −3.49 | 2.01 | 44 |
| H2(TPBP)b | −5.87 | −3.73 | 2.14 | 24 |
| H2(TAzP-HVP) 4a | −5.40 | −3.45 | 1.95 | This work |
| H2(TAzP-ClVP) 4b | −5.53 | −3.66 | 1.87 | This work |
| H2(TAzP-IVP) 4c | −5.32 | −3.56 | 1.77 | This work |
| Zinc( ii ) meso-arylporphyrin tetracoordinated complexes | ||||
| [Zn(TPP)]a | −5.58 | −3.46 | 2.12 | 45 |
| [Zn(TPBP)]b | −5.64 | −3.27 | 2.37 | 24 |
| [Zn(TAzP-HVP)] 5a | −5.24 | −3.09 | 2.15 | This work |
| [Zn(TAzP-ClVP)] 5b | −5.23 | −3.09 | 2.14 | This work |
| [Zn(TAzP-IVP)] 5c | −5.24 | −3.11 | 2.13 | This work |
a
TPP = meso-tetraphenylporphyrinato.
b
TBPP = meso-tetrakis-[4-(benzoyloxy)phenyl]porphyrinato.