Computational and fourier transform infrared spectroscopic studies on carbon monoxide adsorption on the zeolites Na-ZSM-5 and K-ZSM-5: Evidence of dual-cation sites
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F08%3A00306339" target="_blank" >RIV/61388963:_____/08:00306339 - isvavai.cz</a>
Result on the web
—
DOI - Digital Object Identifier
—
Alternative languages
Result language
angličtina
Original language name
Computational and fourier transform infrared spectroscopic studies on carbon monoxide adsorption on the zeolites Na-ZSM-5 and K-ZSM-5: Evidence of dual-cation sites
Original language description
A combination of variable temperature FTIR spectroscopy with calculations performed at the periodic DFT level was used in the investigation of CO adsorption on zeolites Na-ZSM-5 and K-ZSM-5. On the basis of a very good agreement between experimental andcalculated frequencies and adsorption enthalpies it is concluded that CO can form a linearly bridged adsorption complexes on the dual cation sites.
Czech name
Teoretická a FTIR studie adsorpce CO v zeolitech Na-ZSM-5 a K-ZSM-5: evidence duálních kationtových pozic
Czech description
Kombinace experimentální VTIR spektroskopie s výpočty provedenými na úrovni peroidického DFT modelu byla použita ke studiu adsorpce CO na zeolitech Na-ZSM-5 a K-ZSM-5. Na základě velmi dobré shody experimentálních a vypočtených vibračních frekvencí a adsorpčních enthalpií bylo potvrzeno, že molekly CO mohou vytvářet karbonyly mezi dvěma kationty v tzv. duálních kationtových pozicích.
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
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
—
Volume of the periodical
112
Issue of the periodical within the volume
12
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
4658-4666
UT code for WoS article
—
EID of the result in the Scopus database
—