Abstract
Abstract Fenske-Hall quantum chemical calculations have been performed on the model complex (CpCo)3(μ3-η2:η2:η2-C6H6). It is shown that benzene acts as a π-donor and π-acceptor to the (CpCo)3 cluster. A diminution of conjugation, due to a mixing of the benzene e orbitals, is responsible for the observed Kekule-type distortion of the μ3-benzene ligand.
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