Characterisation of tri-ruthenium dihydride complexes through the computation of NMR parameters.

Density functional theory has been used to provide atomic-level detail on the structures of metal hydride intermediates that have previously been proposed in the hydrogenation of phenylacetylene using Ru(3)(CO)(10)(PPh(3))(2). Based on a comparison of energetic data along with computed chemical shif...

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Bibliografische gegevens
Hoofdauteurs: Al-Ibadi, M, Duckett, S, McGrady, J
Formaat: Journal article
Taal:English
Gepubliceerd in: 2012