Mechanistic studies and derivation of a model for the enantioselective step

3 Mechanistic studies and derivation of a model for the enantioselective step 

So far computational studies had only limited influence on the development of new catalysts and were mainly used to explain results after the fact. Given the high fluxion-ality and multifaceted aggregation behavior of iridium hydride species and the many 

Coordination sphere of a metal coordinated by a chiral ligand 

The hydrogenation of y-tocotrienyl acetate, a vitamin E precursor [43], is a striking example demonstrating the potential of these catalysts. With complex 27 all three double bonds in the side chain were reduced with very high enantio- and diastereoselectivity to give the natural (R,R,R)-isomer of y-tocotrienyl acetate almost exclusively. Complexes 

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