Abstract
We show in this review that advanced solid state Nuclear Magnetic Resonance (NMR) methods coupled with semi empirical and ab initio calculations of relevant parameters are well placed to meet the challenges provided by modern material chemistry. We demonstrate the ability of these techniques not only to characterize ordered crystalline structures but also to give detailed insights into the structure of partly disorganized, amorphous or glassy Al-based fluoride materials. Various solid state NMR techniques, pertinent to obtain high resolution NMR spectra in Al-based fluorides, are presented. They allow precise determination of the 19F isotropic chemical shift δiso and 27Al δiso and quadrupolar parameters or to reveal 19F-19F or 19F-27Al proximities. The strong potential of these techniques to study functionalized Al-based inorganic fluorides, synthesized for their possible application as catalyst, is shown. Finally, 19F and 27Al NMR parameters of crystalline alkali and alkaline-earth fluoroaluminates are determined. Modelling of these parameters, starting from structural data and using semi empirical and density functional theory methods, aids assignment of the NMR spectra of these compounds.