Molecular models of active sites of C1 and C2 hydrocarbon activation

G. M. Zhidomirov; V. I. Avdeev; N. U. Zhanpeisov; I. I. Zakharov; I. V. Yudanov

doi:10.1016/0920-5861(95)00063-L

Molecular models of active sites of C₁ and C₂ hydrocarbon activation

G. M. Zhidomirov, V. I. Avdeev, N. U. Zhanpeisov, I. I. Zakharov, I. V. Yudanov

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

7 Citations (Scopus)

Abstract

A short review of the quantum chemical approach to the problem of alkane activation is presented. The results of ab initio calculations of oxidative addition of methane molecules to the transition metal (TM) atoms and complexes are discussed, as well as some questions of methane dissociation on TM surfaces. Both homolytic and heterolytic mechanisms of methane activation on oxide systems are considered.

Original language	English
Pages (from-to)	383-387
Number of pages	5
Journal	Catalysis Today
Volume	24
Issue number	3
DOIs	https://doi.org/10.1016/0920-5861(95)00063-L
Publication status	Published - 1995 Jun 23
Externally published	Yes

ASJC Scopus subject areas

Catalysis
Chemistry(all)

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10.1016/0920-5861(95)00063-L

Cite this

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title = "Molecular models of active sites of C1 and C2 hydrocarbon activation",

abstract = "A short review of the quantum chemical approach to the problem of alkane activation is presented. The results of ab initio calculations of oxidative addition of methane molecules to the transition metal (TM) atoms and complexes are discussed, as well as some questions of methane dissociation on TM surfaces. Both homolytic and heterolytic mechanisms of methane activation on oxide systems are considered.",

author = "Zhidomirov, {G. M.} and Avdeev, {V. I.} and Zhanpeisov, {N. U.} and Zakharov, {I. I.} and Yudanov, {I. V.}",

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AU - Zhidomirov, G. M.

AU - Avdeev, V. I.

AU - Zhanpeisov, N. U.

AU - Zakharov, I. I.

AU - Yudanov, I. V.

PY - 1995/6/23

Y1 - 1995/6/23

N2 - A short review of the quantum chemical approach to the problem of alkane activation is presented. The results of ab initio calculations of oxidative addition of methane molecules to the transition metal (TM) atoms and complexes are discussed, as well as some questions of methane dissociation on TM surfaces. Both homolytic and heterolytic mechanisms of methane activation on oxide systems are considered.

AB - A short review of the quantum chemical approach to the problem of alkane activation is presented. The results of ab initio calculations of oxidative addition of methane molecules to the transition metal (TM) atoms and complexes are discussed, as well as some questions of methane dissociation on TM surfaces. Both homolytic and heterolytic mechanisms of methane activation on oxide systems are considered.

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DO - 10.1016/0920-5861(95)00063-L

M3 - Article

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JO - Catalysis Today

JF - Catalysis Today

SN - 0920-5861

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ER -

Molecular models of active sites of C₁ and C₂ hydrocarbon activation

Abstract

ASJC Scopus subject areas

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