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Adsorption of carbon monoxide on ZSM-5 zeolites: infrared spectroscopic study and quantum-chemical calculations

✍ Scribed by Kustov, L. M.; Kazanskii, V. B.; Beran, Stanislav.; Kubelkova, Ludmila.; Jiru, Pavel.

Book ID
115528818
Publisher
American Chemical Society
Year
1987
Tongue
English
Weight
614 KB
Volume
91
Category
Article
ISSN
0022-3654

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Computational and Variable-Temperature I
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## Abstract **Bridged Ca**^**2+**^**β‹…β‹…β‹…COβ‹…β‹…β‹…Ca**^**2+**^ **complexes** are formed on dual‐cation sites, constituted by a pair of nearby Ca^2+^ cations, when CO is adsorbed on zeolite Ca‐A. Two types of such species can be formed, designated S2–S1 and S1–S1 (see picture). Ca^2+^β‹…β‹…β‹…CO monocarbonyl sp