Browsing by Author "Del Rosal I."

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    Speciation of [Cp*2M2O5] in polar and donor solvents
    (2013) Sözen-Aktaş P.; Del Rosal I.; Manoury E.; Demirhan F.; Lledõs A.; Poli R.
    The speciation of compounds [Cp*2M2O 5] (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 1H NMR 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*MO 3]- 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≈acetone