Molecular-orbital study of a quasi-linear Ru2Mo trinuclear
compound with a diamidolene ligand across each metal–metal
linkage
Abstract
The electronic structure of the trinuclear compound
[(Ph
3
P)(OC)
2
Ru{µ-C
6
H
4
(NH)
2
}Mo(CO)
2
{µ-C
6
H
4
(NH)
2
}Ru(CO)
2
(PPh
3
)],
with a diamidolene ligand riding upright over each of the
quasi-collinear Ru–Mo linkages, has been investigated by means of
the extended-Hückel method and a graphic interface. The ability of
the dianionic riders to donate eight electrons to adjacent metals is
interpreted, similarly for related Ru
2
dimers, in terms of
perturbation theory. The molecule’s distortion, from the highest
possible C
2v
to C
2
symmetry, was parametrized and the effects on the overall chemical
bonding evaluated. The nature of the extended Ru–Mo–Ru
linkage is addressed in some detail. The electronic redistribution over
the ruthenium and molybdenum atoms is discussed in terms of their
limiting oxidation states. Inferences are made as to the structure of a
chromium analogue of the MoRu
2
compound, as yet unknown.
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