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 › peer-review

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

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",

language = "English",

volume = "121",

pages = "227--232",

journal = "Studies in Surface Science and Catalysis",

issn = "0167-2991",

publisher = "Elsevier BV",

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T1 - Studies on catalytic epoxidation reaction cycle with titanium silicalite-1 (TS-1) cluster model

T2 - TS-1 peroxide formation and epoxidation reaction

AU - Munakata, Hiroaki

AU - Oumi, Yasunori

AU - Miyamoto, Akira

PY - 1999

Y1 - 1999

N2 - 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.

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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U2 - 10.1016/s0167-2991(99)80071-8

DO - 10.1016/s0167-2991(99)80071-8

M3 - Article

AN - SCOPUS:33645043626

VL - 121

SP - 227

EP - 232

JO - Studies in Surface Science and Catalysis

JF - Studies in Surface Science and Catalysis

SN - 0167-2991

ER -

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

Abstract

ASJC Scopus subject areas

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