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

Matthew Neurock, Leo E. Manzer

Research output: Contribution to journalArticlepeer-review

78 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)1133-1134
Number of pages2
JournalChemical Communications
Issue number10
DOIs
StatePublished - Jan 1 1996

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