On the fluxional behaviour of the cluster [Ir4(CO)11PEt3]

On the fluxional behaviour of the cluster [Ir4(CO)11PEt3]

[Display omitted] •The LPM offers a mechanism for the fluxionality of CO clusters.•[Ir4(CO)11PEt3] in the solid exists in two isomeric forms.•The fluxional behaviour of [Ir4(CO)11PEt3] can be rationalised by the LPM approach. Contrary to a previous report it is shown that the mechanism of fluxionali...

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Bibliographic Details
Published in:Inorganica Chimica Acta Vol. 526; p. 120509
Main Author: Johnson, Brian F.G.
Format: Journal Article
Language:English
Published: Amsterdam Elsevier B.V 01-10-2021
Elsevier Science Ltd
Subjects:
Carbon monoxide
Carbonyl
Cluster
Fluxionality
Libration
Ligands
Carbonyl
Fluxionality
Cluster
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Summary:[Display omitted] •The LPM offers a mechanism for the fluxionality of CO clusters.•[Ir4(CO)11PEt3] in the solid exists in two isomeric forms.•The fluxional behaviour of [Ir4(CO)11PEt3] can be rationalised by the LPM approach. Contrary to a previous report it is shown that the mechanism of fluxionality of [Ir4(CO)11PEt3] may be explained by the Ligand Polyhedral Model (LPM). Two mechanisms both predicted by the LPM operate. First, the libration of the tetrahedral Ir4 unit within the icosahedral ligand polyhedron and secondly the polyhedral interconversion of the icosahedral ligand envelope through a cubeoctahedral transition state. The two act in unison. This approach offers a complete explanation of the observed experimental results.
ISSN:0020-1693
1873-3255
DOI:10.1016/j.ica.2021.120509