Modelling Reactions at the Active Sites of Chiral Ruthenium Catalysts Using Density Functional Theory

Author: French S. A.  

Publisher: Johnson Matthey

ISSN: 1471-0676

Source: Platinum Metals Review, Vol.51, Iss.2, 2007-04, pp. : 54-62

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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).