The Electronic Structure of [(η5‐C5H5)2Co2]: Comment on the Existence of a Complex with an Unsupported Co-Co Double Bond

Abstract
Bridging hydrido ligands possibly cause the magnetic behavior of the Cp*Co dimer formulated by Schneider et al. as Cp*CoCoCp* (Angew. Chem. Int. Ed. 1992, 30, 1124). This would agree with the calculated electron structures of the model compound CpCoCoCp and the hydrido complexes derived from them. Also the lack of reactivity of the dimer's “naked” CoCo double bond toward CO and ethylene can be explained without difficulty by a stabilizing influence of bridging hydrido ligands. The results of this theoretical study will certainly spark further investigations.

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