Significant Electronic Effect of Porphyrin Ligand on the Reactivities of High-Valent Iron(IV) Oxo Porphyrin Cation Radical Complexes
β Scribed by Goh, Yeong Mee; Nam, Wonwoo
- Book ID
- 120224674
- Publisher
- American Chemical Society
- Year
- 1999
- Tongue
- English
- Weight
- 69 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0020-1669
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## Abstract The proximal axial ligand in heme iron enzymes plays an important role in tuning the reactivities of iron(IV)βoxo porphyrin Οβcation radicals in oxidation reactions. The present study reports the effects of axial ligands in olefin epoxidation, aromatic hydroxylation, alcohol oxidation,
## Abstract The effect of axial ligands on the reactivity of highβvalent iron(IV) oxoβporphyrins (Compound I) was investigated using the B3LYP hybrid density functional method. We studied alkane hydroxylation using four models: Compound I with thiolate, imidazole, phenolate, and chloride anions as