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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