19F High Magnetic Field NMR Study of β-ZrF4 and CeF4: from Spectra Reconstruction to Correlation between Fluorine Sites and 19F Isotropic Chemical Shifts - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Inorganic Chemistry Année : 2006

19F High Magnetic Field NMR Study of β-ZrF4 and CeF4: from Spectra Reconstruction to Correlation between Fluorine Sites and 19F Isotropic Chemical Shifts

Christophe Legein
M. Body
B. Boulard

Résumé

High magnetic field and high spinning frequency one- and two-dimensional one-pulse MAS 19F NMR spectra of -ZrF4 and CeF4 were recorded and reconstructed allowing the accurate determination of the 19F 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 19F isotropic chemical shift calculation initially proposed by Bureau et al. (Bureau, B.; Silly, G.; Emery, J.; Buzaré, 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 -ZrF4 and CeF4, respectively.

Domaines

Matériaux

Dates et versions

hal-00115872 , version 1 (23-11-2006)

Identifiants

Citer

Christophe Legein, Franck Fayon, Charlotte Martineau, M. Body, Jean-Yves Buzaré, et al.. 19F High Magnetic Field NMR Study of β-ZrF4 and CeF4: from Spectra Reconstruction to Correlation between Fluorine Sites and 19F Isotropic Chemical Shifts. Inorganic Chemistry, 2006, 45 (26), pp.10636-10641. ⟨10.1021/ic061339a⟩. ⟨hal-00115872⟩
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