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

doi:10.1016/s0167-2991(99)80071-8

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

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Article

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 language	English
Pages (from-to)	227-232
Number of pages	6
Journal	Studies in Surface Science and Catalysis
Volume	121
DOIs	https://doi.org/10.1016/s0167-2991(99)80071-8
Publication status	Published - 1999

ASJC Scopus subject areas

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

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10.1016/s0167-2991(99)80071-8

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Munakata, H., Oumi, Y., & Miyamoto, A. (1999). Studies on catalytic epoxidation reaction cycle with titanium silicalite-1 (TS-1) cluster model: TS-1 peroxide formation and epoxidation reaction. Studies in Surface Science and Catalysis, 121, 227-232. https://doi.org/10.1016/s0167-2991(99)80071-8

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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.",

author = "Hiroaki Munakata and Yasunori Oumi and Akira Miyamoto",

year = "1999",

doi = "10.1016/s0167-2991(99)80071-8",

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AU - Munakata, Hiroaki

AU - Oumi, Yasunori

AU - Miyamoto, Akira

PY - 1999

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AB - 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.

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