QUANTITATIVE INTERPRETATION OF NMR-SPECTRA OF DISORDERED SOLIDS

Profile analysis of quadrupole-broadened NMR spectra of disordered solids is a complex and computationally intensive task that we have undertaken by developing general Purpose optimization programs. After presenting the spectroscopic problem (first- or second-order quadrupolar effects) and the different types of optimizers (deterministic or stochastic), we discuss how efficiently the "solution" of a simple problem can be found, how a model of disorder can be introduced and progressively refined, which kind of information can be obtained. As example, B-11 magic angle spinning NMR spectra in vitreous borates are quantitatively interpreted.