Affiliation:
1. Institut für Organische Chemie der Universität Erlangen-Nürnberg
Abstract
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.
Cited by
23 articles.
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