19F high magnetic field NMR study of β-ZrF4 and CeF4:: From spectra reconstruction to correlation between fluorine sites and 19F isotropic chemical shifts

High magnetic field and high spinning frequency one- and two-dimensional one- pulse MAS F-19 NMR spectra of beta-ZrF4 and CeF4 were recorded and reconstructed allowing the accurate determination of the F-19 chemical shift tensor parameters for the seven different crystallographic fluorine sites of each compound. The attributions of the NMR resonances are performed using the superposition model for F-19 isotropic chemical shift calculation initially proposed by Bureau et al. (Bureau, B.; Silly, G.; Emery, J.; Buzare, J.-Y. Chem. Phys. 1999, 249, 85-104). A satisfactory reliability is reached with a root-mean-square (rms) deviation between calculated and measured isotropic chemical shift values equal to 1.5 and 3.5 ppm for beta-ZrF4 and CeF4, respectively.