. . "Kombinace VTIR spektroskopie a DFT v\u00FDpo\u010Dt\u016F byla pou\u017Eita ke studiu interakce CO se zeolitem K-FER. Na z\u00E1klad\u011B shody mezi experiment\u00E1ln\u00EDmi a teoretick\u00FDmi v\u00FDsledky byly identifikov\u00E1ny n\u00E1sleduj\u00EDc\u00ED typy karbonyl\u016F: (i) mono- a dikarbonyly v\u00E1zan\u00E9 C atomem na izolovan\u00FDch K+ iontech s frekvencemi 2163 a 2161 cm-1, (ii) komplexy vytvo\u0159en\u00E9 CO v\u00E1zan\u00FDm mezi dv\u011Bma K+ ionty vzd\u00E1len\u00FDmi od sebe 7-8 (du\u00E1ln\u00ED pozice) s frekvenc\u00ED 2148 cm-1 a (iii) isokarbonyly (v\u00E1zan\u00E9 O atomem) s frekvenc\u00ED 2116 cm-1."@cs . "Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER"@en . "P(GA203/06/0324), P(LC512), Z(AV0Z40550506)" . . "8"^^ . "9"^^ . "[B6A3E2909F31]" . "Are\u00E1n, C. O." . "Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER"@en . "Single a du\u00E1ln\u00ED kationtov\u00E9 pozice v zeolitech: Teoretick\u00E1 a FTIR studie adsorbce CO v zeolitu K-FER"@cs . . . "Garrone, E." . "Nachtigall, Petr" . . . "Interaction of CO with K-FER zeolite was investigated by a combination of variable temperature IR spectroscopy and computational study. Based on agreement between experimental and calculated results the following carbonyl complexes were identified: (i) mono- and dicarbonyl C-down complexes on single K+ sites characterized by IR absorption bands at 2163 and 2161 cm-1, respectively, (ii) complexes formed by CO bridging two K+ ions separated by about 7-8 (dual sites) characterized by a band at 2148 cm-1, and (iii) isocarbonyl (O-down) complexes characterized by a band at 2116 cm-1." . . . . "45" . "499479" . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "110" . "vibrational dynamics; IR spectroscopy; periodic DFT"@en . . . "RIV/61388963:_____/06:00043637!RIV07-AV0-61388963" . "RIV/61388963:_____/06:00043637" . "Interaction of CO with K-FER zeolite was investigated by a combination of variable temperature IR spectroscopy and computational study. Based on agreement between experimental and calculated results the following carbonyl complexes were identified: (i) mono- and dicarbonyl C-down complexes on single K+ sites characterized by IR absorption bands at 2163 and 2161 cm-1, respectively, (ii) complexes formed by CO bridging two K+ ions separated by about 7-8 (dual sites) characterized by a band at 2148 cm-1, and (iii) isocarbonyl (O-down) complexes characterized by a band at 2116 cm-1."@en . "Delgado, M. R." . "Bul\u00E1nek, R." . "Single a du\u00E1ln\u00ED kationtov\u00E9 pozice v zeolitech: Teoretick\u00E1 a FTIR studie adsorbce CO v zeolitu K-FER"@cs . . "Nachtigallov\u00E1, Dana" . . "Journal of Physical Chemistry B" . "Palomino, G. T." . . "1520-6106" . "Frolich, K." . . "Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER" . . . . "22542;22550" . "2"^^ . "Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER" .