| Literature DB >> 27841377 |
Victor Polo1, Richard R Schrock2, Luis A Oro3.
Abstract
The positive effect of the addition of water to acetone hydrogenation by [RhH2(PR3)2S2]+ catalysts has been studied by DFT calculations. The studied energetic profiles reveal that the more favourable mechanistic path involves a hydride migration to the ketone followed by a reductive elimination that is assisted by two water molecules.Entities:
Year: 2016 PMID： 27841377 DOI： 10.1039/c6cc07875c
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222