Theoretical insights on the mechanism of alkene epoxidation by H2O2 with titanium silicalite
- 1 January 1996
- journal article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 10,p. 1133-1134
- https://doi.org/10.1039/cc9960001133
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.Keywords
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