Studies on catalytic epoxidation reaction cycle with titanium silicalite-1 (TS-1) cluster model: TS-1 peroxide formation and epoxidation reaction

Hiroaki Munakata, Yasunori Oumi, Akira Miyamoto

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

DFT calculations on TS-1 model clusters showed that activation of hydrogen peroxide on titanium silicalite-1 (TS-1) led to form a water adduct of peroxy TS-1 complex, which was examined as an oxidizing agent in the catalytic reaction cycle to produce epoxyethane from ethene.

Original languageEnglish
Pages (from-to)227-232
Number of pages6
JournalStudies in Surface Science and Catalysis
Volume121
DOIs
Publication statusPublished - 1999

ASJC Scopus subject areas

  • Catalysis
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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