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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

  • Czech description

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/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

  • 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