Abstract
Insight Into the electronic structures of I high-valent intermediates with the {FeIV2(μ-O)2} "diamond core" is provided by density theory calculations. These electronic structures are contrasted with nitrido-bridged heme dimers that contain metal centers with the same oxidation state. Such diamond-core intermediates might actually occur in the catalytic cycles of diiron alkane monooxygenases such as AlkB.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 834-838 |
| Number of pages | 5 |
| Journal | Angewandte Chemie - International Edition |
| Volume | 43 |
| Issue number | 7 |
| DOIs | |
| State | Published - Feb 6 2004 |
Keywords
- Density functional calculations
- Iron
- O ligands
- Porphyrinoids
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Ghosh, A., Tangen, E., Gonzalez, E., & Que, L. (2004). Models of high-valent intermediates of non-heme diiron alkane monooxygenases: Electronic structure of a bis(μ-oxo)diron(IV) complex with locally low-spin metal centers. Angewandte Chemie - International Edition, 43(7), 834-838. https://doi.org/10.1002/anie.200351768