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Interaction of acetonitrile with Na-zeolites: adsorption modes and vibrational dynamics in the zeolite channels and cavities

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    0309593 - ÚOCHB 2009 RIV GB eng J - Journal Article
    Nachtigallová, Dana - Vrbka, Luboš - Bludský, Ota - Nachtigall, Petr
    Interaction of acetonitrile with Na-zeolites: adsorption modes and vibrational dynamics in the zeolite channels and cavities.
    [Interkce acetonitrilu s Na-zeolity: typy adsorpčních komplexů a vibrační dynamika v kanálech a kavitách zeolitů.]
    Physical Chemistry Chemical Physics. Roč. 10, č. 28 (2008), s. 4189-4198. ISSN 1463-9076. E-ISSN 1463-9084
    R&D Projects: GA MŠMT LC512; GA AV ČR IAA400550613
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : zeolite * DFT * vibrational dynamics
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 4.064, year: 2008

    The stability and IR spectra of adsorption complexes of acetonitrile in Na-zeolites can be fully understood only when the interaction of acetonitrile with the Na+ ion and with the framework oxygen atoms (via methyl group) are taken into consideration.

    Byla studována struktura, stabilita a vibrační dynamika komplexů acetonitrilu adsorbovaného v Na-zeolitech. Vlastnosti těchto komplexů závisí, kromě interakce acetonitrilu s Na+ kationty, na interakci methylové skupiny s mřížkovými kyslíky zeolitu.
    Permanent Link: http://hdl.handle.net/11104/0161678

     
     
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