The Impact of Computational Uncertainties on the Enantioselectivity Predictions: A Microkinetic Modeling of Ketone Transfer Hydrogenation with a Noyori-type Mn-diamine Catalyst

Selectivity control is one of the most important functions of a catalyst. In asymmetric catalysis the enantiomeric excess (e.e.) is a property of major interest, with a lot of effort dedicated to developing the most enantioselective catalyst, understanding the origin of selectivity, and predicting stereoselectivity. Herein, we investigate the...

Transfer hydrogenations and kinetic resolutions

Chapter 1 is a review on homogeneous transfer hydrogenations. It shows the different reaction mechanisms involved for different types of catalysts. Additionally, the importance of the right choice of hydrogen donors and solvents is discussed. A wide range of compounds can be reduced in this way and the selectivity of these catalysts is very high...