Cluster quantum chemical study of the mechanism of selective oxidation of ethane to acetaldehyde on boron - Phosphorus mixed oxide catalysts

N. U. Zhanpeisov; K. Otsuka

doi:10.1007/BF02070100

Cluster quantum chemical study of the mechanism of selective oxidation of ethane to acetaldehyde on boron - Phosphorus mixed oxide catalysts

N. U. Zhanpeisov, K. Otsuka

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

In the framework of semiempirical quantum chemical MINDO/3 method the selective oxidation of ethane to acetaldehyde on a specially modified boron - phosphorus mixed oxide catalyst has been considered. On the basis of the results of calculation a possible mechanism for this process is proposed.

Original language	English
Pages (from-to)	301-308
Number of pages	8
Journal	Reaction Kinetics & Catalysis Letters
Volume	48
Issue number	1
DOIs	https://doi.org/10.1007/BF02070100
Publication status	Published - 1992 Jul 1
Externally published	Yes

ASJC Scopus subject areas

Catalysis
Physical and Theoretical Chemistry

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10.1007/BF02070100

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title = "Cluster quantum chemical study of the mechanism of selective oxidation of ethane to acetaldehyde on boron - Phosphorus mixed oxide catalysts",

abstract = "In the framework of semiempirical quantum chemical MINDO/3 method the selective oxidation of ethane to acetaldehyde on a specially modified boron - phosphorus mixed oxide catalyst has been considered. On the basis of the results of calculation a possible mechanism for this process is proposed.",

author = "Zhanpeisov, {N. U.} and K. Otsuka",

year = "1992",

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