title: Inelastic neutron scattering and infrared spectroscopic study of furan adsorption on alkali-metal cation-exchanged faujasites.
abstract: Inelastic neutron scattering (INS) as well as infrared (IR) transmission and diffuse reflection infrared Fourier transform (DRIFT) spectra of furan adsorbed on Li-LSX, NaY, NaX, K-LSX, and CsNaX zeolites have been measured in the range 2000-200 and 4000-1300 cm(-1), respectively. On the basis of an assignment of normal modes of furan taken from the literature and our own quantum chemical calculations of vibrational frequencies, the observed frequency shifts between bulk furan and furan adsorbed on the zeolites mentioned above have been interpreted in view of the interactions between furan and zeolite. For an explanation of frequency shifts of CH out-of-plane bendings, CH stretchings and some ring vibrations, it has to be assumed that in addition to the interaction between furan and the corresponding cation of the zeolite, a further interaction between the CH bonds and lattice oxygen atoms exists.
authors.affiliation: Wilhelm-Ostwald-Institute of Physical and Theoretical Chemistry, University of Leipzig, Germany.
authors.forename: I A
authors.initials: IA
authors.lastname: Beta
authors.forename: H
authors.initials: H
authors.lastname: Jobic
authors.forename: E
authors.initials: E
authors.lastname: Geidel
authors.forename: H
authors.initials: H
authors.lastname: Böhlig
authors.forename: B
authors.initials: B
authors.lastname: Hunger
mesh_terms: D000327:Adsorption; D005663:Furans / Q000737:chemistry*; D009502:Neutrons; D012542:Scattering, Radiation; D013055:Spectrophotometry, Infrared; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods; D014732:Vibration; D017641:Zeolites / Q000737:chemistry*
chemical_list: D005663:Furans; D017641:Zeolites; C039281:furan