Combined theoretical and experimental study of the site-specificity of vibrational dynamics of CO adsorbed on monovalent metal cations in zeolites
Result description
The vibrational dynamics of CO adsorbed on Cu+, Li+, and Na+ sites in FER was investigated by the combination of experimental and theoretical methods allowing the calculations of CO stretching frequencies with "near spectroscopic accuracy". The general rules for site-specificity of vibrational dynamics of adsorbed probe molecules are suggested.
Keywords
The result's identifiers
Result code in IS VaVaI
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Combined theoretical and experimental study of the site-specificity of vibrational dynamics of CO adsorbed on monovalent metal cations in zeolites
Original language description
The vibrational dynamics of CO adsorbed on Cu+, Li+, and Na+ sites in FER was investigated by the combination of experimental and theoretical methods allowing the calculations of CO stretching frequencies with "near spectroscopic accuracy". The general rules for site-specificity of vibrational dynamics of adsorbed probe molecules are suggested.
Czech name
Kombinovanaá teoretická a experimentální studie vibrační dynamiky CO adsorbovaného na monovalentních kationtech v zeolitech
Czech description
Vibrační dynamika CO adsorbovaného na Cu+, Li+ a Na+/FER systémech byla studována kombinací experimentálních a teoretických přístupů. Výsledkem studie je formulace obecných pravidel určujících vibrační dynamiku adsorbovaných molekul v závislosti na typuaktivního centra v zeolitech.
Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
LC512: Center for biomolecules and complex molecular systems
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2005
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Studies in Surface Science and Catalysis
ISSN
0167-2991
e-ISSN
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Volume of the periodical
158
Issue of the periodical within the volume
-
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
8
Pages from-to
625-632
UT code for WoS article
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EID of the result in the Scopus database
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Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
CF - Physical chemistry and theoretical chemistry
Year of implementation
2005