Concepedia

Rate Enhancement and Enantioselectivity of the Jacobsen-Katsuki Epoxidation: The Significance of the Sixth Coordination Site This work was made possible through generous allocation of computer resources by the OIT at Notre Dame, the National Computational Science Alliance and the Competence Center for Computational Chemistry at ETH Zürich.

Jaouad El‐Bahraoui, Olaf Wiest, Derek Feichtinger, Dietmar A. Plattner

PubMed · 2001 · 72 citations · 21 references

DOI

Concepts

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.

References

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