𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study on the spin coupling in oxo-iron (IV) porphyrin π-cation radical systems

✍ Scribed by J. Antony; M. Grodzicki; A.X. Trautwein


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
75 KB
Volume
59
Category
Article
ISSN
0162-0134

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


A CAS SCF study of the iron-oxo-porphyri
✍ Shigeyoshi Yamamoto; Hiroshi Kashiwagi 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 465 KB

CAS SCF (complete active space SCF) calculations have been carried out on the ion-oxo-porphine A radical cation, which is a model for peroxidase compound I and catalase compound II. It is found that the electronic structure of the Fe-0 bond is unchanged by removal of an electron from a porphine II:

Kinetic simulation studies on the transi
✍ Tapan Kumar Saha; Subarna Karmaker; Keietsu Tamagake 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 279 KB 👁 3 views

High-valent oxo-iron(IV) species are commonly proposed as the key intermediates in the catalytic mechanisms of iron enzymes. Water-soluble iron(III) tetrakis-5,10,15,20-(N-methyl-4-pyridyl)porphyrin (Fe(III)TMPyP) has been used as a model of heme-enzyme to catalyse the hydrogen peroxide (H 2 O 2 ) o