Modelling Reactions at the Active Sites of Chiral Ruthenium Catalysts Using Density Functional Theory
Author: French, S.A.
Source: Platinum Metals Review, Volume 51, Number 2, April 2007 , pp. 54-62(9)
Publisher: Johnson Matthey
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Abstract:
Selectivity is a key success factor in the chiral catalyst technologies market. Understanding the fundamental processes that occur when a reagent interacts with a homogeneous single site catalyst, both in its approach and at the active site, is therefore critical to the rational design of new catalysts. Ruthenium-based asymmetric hydrogenation catalysts have been considered as part of a collaborative research project. [(S)-XyIBINAP-RuH2-(S,S)-DPEN], first developed by Noyori (1-3), is studied as the parent or prototype model of a series of efficient hydrogenation catalysts, among them the catalysts based on the P-Phos, PhanePhos and ParaPhos ligand families (4).Document Type: Research article
DOI: 10.1595/147106707X180891
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