X-ray, C-13 NMR, and DFT studies on the cationic Ru(IV) allyl complex Ru(Cp*)Cl(CH3CN)(eta(3)- PhCHCHCH2), as a PF6 salt, have revealed a marked asymmetry in the bonding of the allyl ligand, which can be interpreted as arising from differences in T-bonding from the metal center to the two terminal allyl carbons. This asymmetry in the bonding is offered as an explanation for the observed control of regioselectivity in the Ru-catalyzed allylic alkylation reaction.
X-ray, C-13 NMR, and DFT studies on a ruthenium(IV) allyl complex. Explanation for the observed control of regioselectivity in allylic alkylation chemistry / R. Hermatschweiler, I. Fernandez, P.S. Pregosin, E.J. Watson, A. Albinati, S. Rizzato, L.F. Veiros, M.J. Calhorda. - In: ORGANOMETALLICS. - ISSN 0276-7333. - 24:8(2005), pp. 1809-1812.
X-ray, C-13 NMR, and DFT studies on a ruthenium(IV) allyl complex. Explanation for the observed control of regioselectivity in allylic alkylation chemistry
A. Albinati;S. Rizzato;
2005
Abstract
X-ray, C-13 NMR, and DFT studies on the cationic Ru(IV) allyl complex Ru(Cp*)Cl(CH3CN)(eta(3)- PhCHCHCH2), as a PF6 salt, have revealed a marked asymmetry in the bonding of the allyl ligand, which can be interpreted as arising from differences in T-bonding from the metal center to the two terminal allyl carbons. This asymmetry in the bonding is offered as an explanation for the observed control of regioselectivity in the Ru-catalyzed allylic alkylation reaction.
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