Reduction of [Cp*2Mo2O5] in aqueous medium: Structure and properties of a triangular mixed oxo-hydroxo-bridged product, [Cp*3Mo3(μ-O)2(μ-OH) 4](X)2 (X = CF3CO2 or CF 3SO3)

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dc.contributor.authorDemirhan F.
dc.contributor.authorÇaǧatay B.
dc.contributor.authorDemir D.
dc.contributor.authorBaya M.
dc.contributor.authorDaran J.-C.
dc.contributor.authorPoli R.
dc.date.accessioned2025-04-10T11:17:11Z
dc.date.available2025-04-10T11:17:11Z
dc.date.issued2006
dc.description.abstractThe reduction of [Cp*2Mo2O5] with Zn in a MeOH/H2O solution acidified with either CF3COOH or CF3SO3H leads to the formation of the [Cp* 3Mo3(μ-O)2(μ-OH)4] 2+ ion as its trifluoroacetate or trifluoromethanesulfonate salt. The structure of the compound was confirmed by X-ray analyses. The anions establish hydrogen-bonding interactions with all four bridging OH groups. Density functional calculations afford bonding parameters in close agreement with the observed structure and indicate that the cluster is best described as a valence-delocalized Mo313+ species. The five metal electrons are distributed among an α-type (z2) orbital, which accounts for most of the metal-metal attraction, and two essentially metal-metal nonbonding e-type (xy) orbitals with a slight Mo(μ-O) π*-type contribution. Because of the C2 symmetry, the latter orbitals are not degenerate. The calculations show that the unpaired electron is located in a molecular orbital with equal contribution from two Mo atoms, in agreement with the experimental observation of coupling of the unpaired electron to two Mo atoms in the isotropic EPR spectrum. © Wiley-VCH Verlag GmbH & Co. KGaA, 2006.
dc.identifier.DOI-ID10.1002/ejic.200500665
dc.identifier.urihttp://hdl.handle.net/20.500.14701/52410
dc.publisherWiley-VCH Verlag
dc.titleReduction of [Cp*2Mo2O5] in aqueous medium: Structure and properties of a triangular mixed oxo-hydroxo-bridged product, [Cp*3Mo3(μ-O)2(μ-OH) 4](X)2 (X = CF3CO2 or CF 3SO3)
dc.typeArticle

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