Number of the records: 1  

Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation

  1. 1.
    0331250 - ÚOCHB 2010 RIV NL eng J - Journal Article
    Areán, C. O. - Palomino, G. T. - Carayol, M. R. L. - Pulido, A. - Rubeš, Miroslav - Bludský, Ota - Nachtigall, P.
    Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation.
    Chemical Physics Letters. Roč. 477, 1/3 (2009), s. 139-143. ISSN 0009-2614. E-ISSN 1873-4448
    R&D Projects: GA ČR GA203/09/0143; GA MŠMT LC512
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : zeolites * DFT * adsorption
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.291, year: 2009

    Calculations showed that adsorption complexes can be formed on two types of adsorption sites: Ca2+ in the center of six-member rings and Ca2+ in eight-member rings. Only the former adsorption complexes were experimentally observed in IR spectra; they are characterized by H–H stretching frequency of 4083 cm-1 and deltaH0=-12 kJ/mol in agreement with calculated results.
    Permanent Link: http://hdl.handle.net/11104/0005505

     
     
Number of the records: 1  

  This site uses cookies to make them easier to browse. Learn more about how we use cookies.