Cluster quantum-chemical study of the interaction of carbon monoxide with surface acid centers of highly dispersed magnesium chloride View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1994-03

AUTHORS

N. U. Zhanpeisov, E. A. Paukshtis, G. M. Zhidomirov, V. A. Zakharov

ABSTRACT

Within the MINDO/3 method, cluster models giving a description of highly dispersed magnesium chloride containing all sets of acid sites, i.e. three-, four- and five-coordinate magnesium ions, and surface hydroxyl groups have been proposed. Three types of CO adsorption complexes on the magnesium chloride surface have been considered. The C-O stretching frequencies of these adsorption complexes and the O-H stretching frequencies of hydroxyl groups on magnesium chloride calculated by a harmonic oscillator approach are in good agreement with available experimental and theoretical data. More... »

PAGES

209-215

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00814266

DOI

http://dx.doi.org/10.1007/bf00814266

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1051475953


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