title: The vibrational dynamics of carbon monoxide in a confined space-CO in zeolites.
abstract: Based on theoretical calculations, and a survey of infrared spectra of CO adsorbed on different cation exchanged zeolites, a model is proposed to explain the influence of the zeolite framework on the vibrational behaviour of CO confined into small void spaces (zeolite channels and cavities). The concepts developed should help to understand a number of details relevant to both, precise interpretation of IR spectra and a better understanding of the vibrational dynamics of small molecules in a confined space.
authors.affiliation: Center for Biomolecules and Complex Molecular Systems, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 166 10, Prague 6, Czech Republic. dana.nachtigallova@uochb.cas.cz
authors.forename: Dana
authors.initials: D
authors.lastname: Nachtigallová
authors.forename: Ota
authors.initials: O
authors.lastname: Bludský
authors.forename: Carlos
authors.initials: C
authors.lastname: Otero Areán
authors.forename: Roman
authors.initials: R
authors.lastname: Bulánek
authors.forename: Petr
authors.initials: P
authors.lastname: Nachtigall
mesh_terms: D002248:Carbon Monoxide / Q000737:chemistry*; D008956:Models, Chemical; D013055:Spectrophotometry, Infrared; D014732:Vibration; D017641:Zeolites / Q000737:chemistry*
chemical_list: D017641:Zeolites; D002248:Carbon Monoxide