Sözen-Aktas, PDel Rosal, IManoury, EDemirhan, FLledós, APoli, R2024-07-182024-07-180947-65391521-3765http://akademikarsiv.cbu.edu.tr:4000/handle/123456789/10128The 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 acetoneEnglishGENERALIZED GRADIENT APPROXIMATIONSTATE AQUEOUS ORGANOMETALLICSOLEFIN EPOXIDATIONTUNGSTEN COMPLEXESCP-ASTERISKBASIS-SETSMOLYBDENUMOXIDESOXOREDUCTIONArticle