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Título

Synthesis and dynamic behaviour of zwitterionic [M(η6-C6H5-BPh3)(coe)2] (M = Rh, Ir) cyclooctene complexes

AutorPérez-Torrente, Jesús J. CSIC ORCID; Angoy, Marta CSIC; Gómez-Bautista, Daniel CSIC ORCID; Palacios, Adrián CSIC ORCID; Jiménez, M. Victoria CSIC ORCID ; Modrego, Francisco J. CSIC ORCID; Castarlenas, Ricardo CSIC ORCID; Lahoz, Fernando J. CSIC ORCID; Oro, Luis A. CSIC ORCID
Fecha de publicación2014
EditorRoyal Society of Chemistry (UK)
CitaciónDalton Transactions 43(39): 14778-14786 (2014)
ResumenThe synthesis and structural characterization of zwitterionic [(η6-C6H5-BPh3)M(coe)2] (M = Rh, Ir) cyclooctene complexes is described. Both complexes exhibit an unusual exo–endo conformation of both cyclooctene ligands in the solid state. However, an equilibrium between the endo–endo and exo–endo rotational isomers arising from the hindered rotation about the metal–cyclooctene bond is observed in solution. Rotational barriers of around 65 kJ mol−1 (Rh) and 84 kJ mol−1 (Ir) have been determined by 2D EXSY NMR spectroscopy. The rotation process has also been studied by DFT calculations that showed that the dynamic behaviour is a consequence of the oscillation of the cyclooctene ligands about the metal–olefin bond instead of completing a full rotation.
Versión del editorhttp://dx.doi.org/10.1039/C4DT02105C
URIhttp://hdl.handle.net/10261/112713
DOI10.1039/C4DT02105C
ISSN1477-9226
E-ISSN1477-9234
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