title: 1H NMR signal broadening in spectra of alkane molecules adsorbed on MFI-type zeolites.
abstract: The anisotropic behavior of C1-C6 alkane molecules adsorbed in MFI zeolite was studied by 1H nuclear magnetic resonance (NMR) using single-pulse excitation, Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence, Hahn echo (HE) pulse sequence, and magic-angle spinning. The molecular order parameter was obtained by both static 2H NMR spectroscopy and molecular simulations. This yields an order parameter in the range of 0.28-0.42 for linear alkanes in MFI zeolite, whereas the parameter equals zero for FAU zeolite with a cubic symmetry. Thus, in the case of a zeolite with a non-cubic symmetry like MFI, the mobility of the molecules in one crystallite cannot fully average the dipolar interaction. As a consequence, transverse nuclear magnetization as revealed in the echo attenuation notably deviates from a mono-exponential decay. This information is of particular relevance for the performance of pulsed field gradient (PFG) NMR diffusion experiments, since the occurrence of non-exponential magnetization attenuation could be taken as an indication of the existence of different molecules or of molecules in different states of mobility.
authors.affiliation: Abteilung Grenzflächenphysik, Universität Leipzig, Linnéstr. 5, 04103 Leipzig, Germany.
authors.forename: Ekaterina E
authors.initials: EE
authors.lastname: Romanova
authors.forename: Cordula B
authors.initials: CB
authors.lastname: Krause
authors.forename: Alexander G
authors.initials: AG
authors.lastname: Stepanov
authors.forename: Ursula
authors.initials: U
authors.lastname: Wilczok
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Schmidt
authors.forename: Jasper M
authors.initials: JM
authors.lastname: van Baten
authors.forename: Rajamani
authors.initials: R
authors.lastname: Krishna
authors.forename: André
authors.initials: A
authors.lastname: Pampel
authors.forename: Jörg
authors.initials: J
authors.lastname: Kärger
authors.forename: Dieter
authors.initials: D
authors.lastname: Freude