Organometallic clusters with face capping arene ligands II. The electronic structure of (CpCo)3(μ3-η2:η2:η2-benzene)

Hubert Wadepohl,Longgen Zhu

doi:10.1016/0022-328x(89)88079-9

Organometallic clusters with face capping arene ligands II. The electronic structure of (CpCo)3(μ3-η2:η2:η2-benzene)

Hubert Wadepohl, Longgen Zhu

https://doi.org/10.1016/0022-328x(89)88079-9

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Journal: Journal of Organometallic Chemistry	Publication Date: Oct 1, 1989
Citations: 19

#Organometallic Clusters #Model Complex + Show 4 more

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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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