Synthesis, molecular and electronic structure of Ru3 isomeric clusters carrying C8 rings bonded in allenylic and acetylenic modes
Abstract
The two new cluster complexes
[Ru
3
H
2
(CO)
9
(C
8
H
10
)] 1 and
[Ru
3
H(CO)
9
(C
8
H
11
)] 2
have been isolated as the products of thermolysis of
[Ru
3
(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 µ
3
-η
3
fashion, the first
allenylic bonded ring system to have been reported, whereas in 1
the ligand is, more conventionally, bound in
µ
3
-η
2
fashion with the second unsaturated
C![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
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.
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.
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