Abstract
(Figure Presented) Reactivity along two channels is shown by the HO-Fe V=O species responsible for Fe(tpa)-catalyzed olefin oxidation (tpa = tris(2-pyridylmethyl)amine). Attack of the oxo ligand on an olefinic carbon atom yields epoxide and attack of the hydroxo ligand affords cis-diol (see scheme). Hybrid density functional theory now demonstrates that the two processes have comparable activation energies.
Original language | English (US) |
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Pages (from-to) | 2939-2941 |
Number of pages | 3 |
Journal | Angewandte Chemie - International Edition |
Volume | 44 |
Issue number | 19 |
DOIs | |
State | Published - May 6 2005 |
Keywords
- Density functional calculations
- Dihydroxylation
- Enzyme models
- Epoxidation
- Iron