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Effect of Axial Ligands and Macrocyclic Structure on Redox Potentials and Electron-Transfer Mechanisms of Sn(IV) Porphyrins

✍ Scribed by Ou, Zhongping; e, W; Zhu, Weihua; Thordarson, Pall; Sintic, Paul J.; Crossley, Maxwell J.; Kadish, Karl M.

Book ID: 125834627
Publisher: American Chemical Society
Year: 2007
Tongue: English
Weight: 232 KB
Volume: 46
Category: Article
ISSN: 0020-1669
DOI: 10.1021/ic7016165

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## 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