| Literature DB >> 29712213 |
Jaouad El-Bahraoui1, Olaf Wiest1, Derek Feichtinger2, Dietmar A Plattner2.
Abstract
New light on the origin of the high enantioselectivities achieved in the Jacobsen-Katsuki epoxidation is shed by the results of density functional calculations. Axial ligation to the metal center not only enhances the epoxidation rate, but in addition leads to highly nonplanar, bent conformations of the active catalyst.Keywords: density functional calculations; epoxidation; ligand effects; manganese; oxidation
Year: 2001 PMID: 29712213 DOI: 10.1002/1521-3773(20010601)40:11<2073::AID-ANIE2073>3.0.CO;2-Y
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336