Theoretical and experimental study of CO adsorption on Ca-FER zeolite
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F15%3A10271760" target="_blank" >RIV/00216208:11310/15:10271760 - isvavai.cz</a>
Alternative codes found
RIV/00216275:25310/15:39899425
Result on the web
<a href="http://ac.els-cdn.com/S0920586114005112/1-s2.0-S0920586114005112-main.pdf?_tid=40643b3e-c8a1-11e4-a81f-00000aab0f6b&acdnat=1426155742_7e6b81e1b2c0fb565fb0e96c78edf63f" target="_blank" >http://ac.els-cdn.com/S0920586114005112/1-s2.0-S0920586114005112-main.pdf?_tid=40643b3e-c8a1-11e4-a81f-00000aab0f6b&acdnat=1426155742_7e6b81e1b2c0fb565fb0e96c78edf63f</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cattod.2014.07.029" target="_blank" >10.1016/j.cattod.2014.07.029</a>
Alternative languages
Result language
angličtina
Original language name
Theoretical and experimental study of CO adsorption on Ca-FER zeolite
Original language description
The interaction of CO with Ca-FER was investigated by a combination of IR spectroscopy an microcalorimetry and by periodic DFT calculations employing the ? / r correlation for calculations of CO stretching frequencie in order to gain more insight on Ca 2+ cation coordination in the FER zeolite and site-specificity of CO stretching frequency in IR spectra of CO/Ca-FER system. Experimental data were interpreted on the basis of a good agreement between experimental and theoretical results. Detailed analysis of both theoretical and experimental results reveals that no individual band can be assigned to specific type of CO-Ca complex or to a one type of Ca 2+ sites. On the contrary,several different type of (poly)carbonyl complexes contribute to each vibrational band discerned in the experimental IR spectra.The band at 2197 cm MINUS SIGN 1 gradually shifting to 2194 cm MINUS SIGN 1 with increasing coverage represents monocar- bonyl at all Ca 2+ sites and most stable dicarbonyls formed on Ca
Czech name
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Czech description
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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
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Result continuities
Project
<a href="/en/project/GBP106%2F12%2FG015" target="_blank" >GBP106/12/G015: Intelligent design of nanoporous adsorbents and catalysts</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Catalysis Today
ISSN
0920-5861
e-ISSN
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Volume of the periodical
243
Issue of the periodical within the volume
April 2015
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
9
Pages from-to
53-61
UT code for WoS article
000347049900008
EID of the result in the Scopus database
2-s2.0-84927804836