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ChemInform Abstract: Structural Deformations and Bond Length Alternation in Porphyrin π-Cation Radicals

✍ Scribed by W. Robert Scheidt

Publisher
John Wiley and Sons
Year
2010
Weight
26 KB
Volume
33
Category
Article
ISSN
0931-7597

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✦ Synopsis

Abstract

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

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A CAS SCF study of the iron-oxo-porphyri
A CAS SCF study of the iron-oxo-porphyrin π radical cation: Similarity in FeO electronic structure between peroxidase compounds I and II
✍ 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: