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Reaction energies (in kcal/mol).a
| C.N. | Decomposition pathway | δG |
|---|---|---|
| 5-C | (P)Fe(HNO) → (P)Fe + 1/2(N2O + H2O) | −48.71 |
| 5-C | (P)Fe(HNO) → (P)Fe(NO)+ 1/2 H2 | −4.78 |
| 6-C | (P)Fe(HNO)L → (P)Fe(L) + 1/2(N2O + H2O) | −47.76 |
| 6-C | (P)Fe(HNO)L → (P)Fe(NO) + L + 1/2 H2 | −3.19 |
| HNO → 1/2(N2O + H2O) | −44.46 |
C.N. = coordination number. P = porphine. L = 5-MeIm.
