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.accessioned2024-07-22T08:23:35Z
dc.date.available2024-07-22T08:23:35Z
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.issn14341948
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/19585
dc.language.isoEnglish
dc.publisherWiley-VCH Verlag
dc.rightsAll Open Access; Green Open Access
dc.subjectElectron spin resonance spectroscopy
dc.subjectHydrogen
dc.subjectLigands
dc.subjectMolecular orbitals
dc.subjectMolybdenum
dc.subjectReduction
dc.subjectX ray analysis
dc.subject% reductions
dc.subjectAqueous media
dc.subjectBridging ligands
dc.subjectMedia properties
dc.subjectMedia structure
dc.subjectMetal-metal interactions
dc.subjectOrbitals
dc.subjectOxo ligands
dc.subjectStructures and properties
dc.subjectUnpaired electrons
dc.subjectHydrogen bonds
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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