Combined Theoretical and Experimental Study of the Site-Specificity of Vibrational Dymanics of CO Adsorbed on Monovalent Metal Cations in Zeolites.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F05%3A00002642" target="_blank" >RIV/00216275:25310/05:00002642 - isvavai.cz</a>
Result on the web
—
DOI - Digital Object Identifier
—
Alternative languages
Result language
angličtina
Original language name
Combined Theoretical and Experimental Study of the Site-Specificity of Vibrational Dymanics of CO Adsorbed on Monovalent Metal Cations in Zeolites.
Original language description
The question of site-specificity of IR spectra of adsorbed CO molecule on metal ion exchanged zeolites was addressed. 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 frequencies with "near spectroscopic accuracy". The details of experimental spectra in the CO stretching region are assigned based on the calculations. The effects contributing to the overall CO stretching are discussed. The general rules for site-specificity of vibrational dynamics of adsorbed probe molecules are suggested.
Czech name
xx
Czech description
V tomto příspěvku je diskutována otázka site-specificity CO adsorbovaného na iontech kovů v zeolitických matricích. Na základě experimentálních i teoretických studií jsou diskutovány případy iontů Cu+, Li+ a Na+ v zeolitové matrici FER. Jsou zde diskutovány jednotlivé efekty ovlivnující vibrační frekvenci a jsou zde definovány obecné zákonitosti určující specifičnost vibrací C-O vazby.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—
Result continuities
Project
<a href="/en/project/LC512" target="_blank" >LC512: Center for biomolecules and complex molecular systems</a><br>
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
—
Volume of the periodical
—
Issue of the periodical within the volume
158
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
8
Pages from-to
625-632
UT code for WoS article
—
EID of the result in the Scopus database
—