Das Tricarbonyl-eisen-cycloheptatrienid-Anion [C7H7Fe(CO)3]–: η3-Allylanion- oder η4-Butadienkomplex? / The Triearbonyl Iron Cyeloheptatrienide Anion: η3-Allyl Anion or η4-Butadiene Complex?
Open Access
- 1 March 1978
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung B
- Vol. 33 (3) , 251-260
- https://doi.org/10.1515/znb-1978-0301
Abstract
Molecular orbital calculations for [C7H7Fe(CO)3]-predict a η3 -allyl anion Fe(CO)3 complex with un-coordinated diene part of the C7H7 ligand to be more stable than the alter-native η4 -butadiene Fe(CO)3 form, the cyclopolyenyl ligand being nonplanar in either case. The tiny energy difference between both coordination modes accounts for the observed high fluxionality of the anion.Keywords
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