Comparison between the two different forms of iron(IV)-oxo porphyrin and the effects of neutral axial ligand on their catalysis: A theoretical study

Effect of the axial cysteine ligand on t

Effect of the axial cysteine ligand on the electronic structure and reactivity of high-valent iron(IV) oxo-porphyrins (Compound I): A theoretical study

✍ Yoong-Kee Choe; Shigeru Nagase 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 454 KB 👁 1 views

## Abstract The effect of axial ligands on the reactivity of high‐valent iron(IV) oxo‐porphyrins (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

Comparison between the two different forms of iron(IV)-oxo porphyrin and the effects of neutral axial ligand on their catalysis: A theoretical study

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