Cluster quantum chemical study of the reaction of molecules with a magnesium oxide surface. II. Molecular and dissociative adsorption of H2O

N. U. Zhanpeisov; A. G. Pel'menshchikov; G. M. Zhidomirov

Cluster quantum chemical study of the reaction of molecules with a magnesium oxide surface. II. Molecular and dissociative adsorption of H₂O

N. U. Zhanpeisov, A. G. Pel'menshchikov, G. M. Zhidomirov

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

Abstract

In terms of the cluster approach, we have considered molecular and dissociative adsorption of water on a dehydroxylated MgO surface. For the molecular form of adsorption, reaction according to a coordination mechanism is preferred over formation of hydrogen-bonded structures. Dissociative adsorption can occur on magnesium ions with low coordination numbers (3 and 4) and the oxygen of the oxide surface. We discuss the question of the degradation of MgO upon reaction with H₂O.

Original language	English
Pages (from-to)	875-877
Number of pages	3
Journal	Kinetics and Catalysis
Volume	32
Issue number	4 pt 2
Publication status	Published - 1992 Feb 1
Externally published	Yes

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Modelling and Simulation
Computer Science Applications

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abstract = "In terms of the cluster approach, we have considered molecular and dissociative adsorption of water on a dehydroxylated MgO surface. For the molecular form of adsorption, reaction according to a coordination mechanism is preferred over formation of hydrogen-bonded structures. Dissociative adsorption can occur on magnesium ions with low coordination numbers (3 and 4) and the oxygen of the oxide surface. We discuss the question of the degradation of MgO upon reaction with H2O.",

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T1 - Cluster quantum chemical study of the reaction of molecules with a magnesium oxide surface. II. Molecular and dissociative adsorption of H2O

AU - Zhanpeisov, N. U.

AU - Pel'menshchikov, A. G.

AU - Zhidomirov, G. M.

PY - 1992/2/1

Y1 - 1992/2/1

N2 - In terms of the cluster approach, we have considered molecular and dissociative adsorption of water on a dehydroxylated MgO surface. For the molecular form of adsorption, reaction according to a coordination mechanism is preferred over formation of hydrogen-bonded structures. Dissociative adsorption can occur on magnesium ions with low coordination numbers (3 and 4) and the oxygen of the oxide surface. We discuss the question of the degradation of MgO upon reaction with H2O.

AB - In terms of the cluster approach, we have considered molecular and dissociative adsorption of water on a dehydroxylated MgO surface. For the molecular form of adsorption, reaction according to a coordination mechanism is preferred over formation of hydrogen-bonded structures. Dissociative adsorption can occur on magnesium ions with low coordination numbers (3 and 4) and the oxygen of the oxide surface. We discuss the question of the degradation of MgO upon reaction with H2O.

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VL - 32

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SN - 0023-1584

IS - 4 pt 2

ER -

Cluster quantum chemical study of the reaction of molecules with a magnesium oxide surface. II. Molecular and dissociative adsorption of H2O

Abstract

ASJC Scopus subject areas

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Cluster quantum chemical study of the reaction of molecules with a magnesium oxide surface. II. Molecular and dissociative adsorption of H₂O