Abstract
The Fe(IV)-S bond of P450 iron oxene (1) has a small dissociation energy (6.3 kcal mol-1) and can vary its length with only a low energy cost, as a result of charge transfer from the ligand sulfur atom to porphyrin. P450 iron oxene is a redox mesomerism hybrid modulated by the Fe-S distance and the polarity of the environment.
Original language | English |
---|---|
Pages (from-to) | 3851-3855 |
Number of pages | 5 |
Journal | Angewandte Chemie - International Edition |
Volume | 39 |
Issue number | 21 |
DOIs | |
State | Published - 3 Nov 2000 |
Keywords
- Charge transfer
- Density functional calculations
- Enzyme catalysis
- Metalloenzymes