Speciation of [Cp*2M2O5] in Polar and Donor Solvents

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dc.contributor.authorSözen-Aktas, P
dc.contributor.authorDel Rosal, I
dc.contributor.authorManoury, E
dc.contributor.authorDemirhan, F
dc.contributor.authorLledós, A
dc.contributor.authorPoli, R
dc.date.accessioned2024-07-18T12:06:00Z
dc.date.available2024-07-18T12:06:00Z
dc.description.abstractThe speciation of compounds [Cp*2M2O5] (M=Mo, W; Cp*=pentamethylcyclopentadienyl) in different protic and aprotic polar solvents (methanol, dimethyl sulfoxide, acetone, acetonitrile), in the presence of variable amounts of water or acid/base, has been investigated by 1HNMR spectrometry and electrical conductivity. Specific hypotheses suggested by the experimental results have been further probed by DFT calculations. The solvent (S)-assisted ionic dissociation to generate [Cp*MO2(S)]+ and [Cp*MO3] takes place extensively for both metals only in water/methanol mixtures. Equilibrium amounts of the neutral hydroxido species [Cp*MO2(OH)] are generated in the presence of water, with the relative amount increasing in the order MeCN approximate to acetone
dc.identifier.issn0947-6539
dc.identifier.other1521-3765
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/10128
dc.language.isoEnglish
dc.publisherWILEY-V C H VERLAG GMBH
dc.subjectGENERALIZED GRADIENT APPROXIMATION
dc.subjectSTATE AQUEOUS ORGANOMETALLICS
dc.subjectOLEFIN EPOXIDATION
dc.subjectTUNGSTEN COMPLEXES
dc.subjectCP-ASTERISK
dc.subjectBASIS-SETS
dc.subjectMOLYBDENUM
dc.subjectOXIDES
dc.subjectOXO
dc.subjectREDUCTION
dc.titleSpeciation of [Cp*2M2O5] in Polar and Donor Solvents
dc.typeArticle

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