Synthesis, molecular and electronic structure of Ru₃ isomeric clusters carrying C₈ rings bonded in allenylic and acetylenic modes

Abstract

The two new cluster complexes [Ru₃H₂(CO)₉(C₈H₁₀ )] 1 and [Ru₃H(CO)₉(C₈H₁₁)] 2 have been isolated as the products of thermolysis of [Ru₃(CO)₁₂] in octane containing cycloocta-1,3-diene. The two species are structural isomers ideally differing only in the transfer of one hydrogen atom from the organic ligand to the metal core. The organic ligand in 2 is bonded in an allenyl µ₃-η³ fashion, the first allenylic bonded ring system to have been reported, whereas in 1 the ligand is, more conventionally, bound in µ₃-η² fashion with the second unsaturated C=C bond not involved in bonding to the cluster. The solid-state structures of 1 and 2 have been studied by single-crystal X-ray diffraction. The bonding of the organic ligands in the clusters has been investigated by molecular orbital calculations of the extended-Hückel type.

References

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