Issue 10, 1996

Theoretical insights on the mechanism of alkene epoxidation by H2O2 with titanium silicalite

Abstract

Ethlene preferentially attacks the oxygen closest to the titanium in HOO–Ti(OSiH3)3(MeOH) and HOO–TiL3(MeOH) cluster models of the active Ti-site in TS1 due to a substantially reduced electrostatic repulsion.

Article information

Article type
Paper

Chem. Commun., 1996, 1133-1134

Theoretical insights on the mechanism of alkene epoxidation by H2O2 with titanium silicalite

M. Neurock and L. E. Manzer, Chem. Commun., 1996, 1133 DOI: 10.1039/CC9960001133

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