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...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2012
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