✦ LIBER ✦

Local Density Functional Study of Oxoiron(IV) Porphyrin Complexes and Their One-Electron Oxidized Derivatives. Axial Ligand Effects

✍ Scribed by Antony, Jens; Grodzicki, Michael; Trautwein, Alfred X.

Book ID: 120960784
Publisher: American Chemical Society
Year: 1997
Tongue: English
Weight: 253 KB
Volume: 101
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp9632955

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density functional studies of iron(III)

Density functional studies of iron(III) porphines and their one-electron-oxidized derivatives

✍ Jones, David H.; Hinman, A. Scott; Ziegler, Tom 📂 Article 📅 1993 🏛 American Chemical Society 🌐 English ⚖ 501 KB

Remarkable Anionic Axial Ligand Effects

Remarkable Anionic Axial Ligand Effects of Iron(III) Porphyrin Complexes on the Catalytic Oxygenations of Hydrocarbons by H2O2 and the Formation of Oxoiron(IV) Porphyrin Intermediates by m-Chloroperoxybenzoic Acid

✍ Wonwoo Nam; Mi H. Lim; So-Young Oh; Jung H. Lee; Ha J. Lee; Seung K. Woo; Cheal 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 101 KB 👁 2 views

Remarkable Anionic Axial Ligand Effects

✍ Wonwoo Nam; Mi H. Lim; So-Young Oh; Jung H. Lee; Ha J. Lee; Seung K. Woo; Cheal 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 101 KB 👁 2 views

Steric hindrance effect of the equatoria

Steric hindrance effect of the equatorial ligand on Fe(IV)O and Ru(IV)O complexes: a density functional study

✍ Yi Wang; Keli Han 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 619 KB

Comparison between the two different for

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

✍ Yong Sun; Xingbang Hu; Haoran Li; Abraham F. Jalbout 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 899 KB

Iron(IV

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