Rate Enhancement and Enantioselectivity of the Jacobsen–Katsuki Epoxidation: The Significance of the Sixth Coordination Site

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 (see picture). Supporting information for this article is available on the WWW under http://www.angewandte.com or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.