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On the electronic structure and bonding of the intriguing mixed Fe2+/Fe3+ [{Cp(CO)2Fe}tBuPO2FeCl2]2-Complex

✍ Scribed by Ingo-Peter Lorenz; Markus Maier; Axel Schulz

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
324 KB
Volume
16
Category
Article
ISSN
1042-7163

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✦ Synopsis

Abstract

The structure and bonding of [{Cp(CO)~2~Fe}^t^BuPO~2~FeCl~2~]~2~(2) have been investigated theoretically and experimentally. The molecular orbitals of 2 have been calculated to investigate the question why this type of complex forms a planar ring system. The electronic configuration of different electronic states, spin polarization, and bonding of 2 are discussed. © 2005 Wiley Periodicals, Inc. Heteroatom Chem 16:398–405, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20109

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