Publication detail

Polycarbonyls on Cu+ ions in FER zeolites

Authors: Bulánek Roman | Drobná Helena | Nachtigall Petr | Rubeš | Bludský Ota

Year: 2006

Type of publication: článek v odborném periodiku

Name of source: Physical Chemistry Chemical Physics

Publisher name: Royal Society of Chemistry

Place: Cambridge

Page from-to: 5535-5542

Titles:

Language	Name	Abstract	Keywords
cze	Polykarbonyly na Cu+ iontech ve FER zeolitech	Preference lokalizací a tvorba mono-, di- a tri-karbonylů na Cu+ iontech v Cu-FER zeolitech byla studována pomocí kvantové chemie a IČ spektroskopie. Pro různá Cu+ centra v Cu-FER zeolitech byla studována site-specificita adsorpčních enthalpií CO a vibračních frekvencí pro polykarbonylové komplexy vznikajicí v těchto systémech.	Cu+ centra, FER, zeolity, CO, adsorpce, valenční vibrace, IČ, ab-initio
eng	Polycarbonyls on Cu+ ions in FER zeolites	The preferred Cu+ sites and formation of mono-, di-, and tri-carbonyl complexes in the Cu-FER were investigated at the periodic density functional theory level and by means of FTIR spectroscopy. The site-specificity of adsorption enthalpies of CO on Cu-FER and of vibrational frequencies of polycarbonyl complexes were investigated for various Cu+ sites in Cu-FER	Cu+ sites, FER, zeolites, CO, adsorption, stretching frequencies, IR, ab-initio

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