Structural characterization of glass from the inversion of {sup 23}Na and {sup 27}Al 3Q-MAS NMR spectra
A spectrum-inversion approach to extract information from MQ-MAS NMR spectra in glasses is presented. This allows the reconstruction of the underlying two-dimensional distribution of the isotropic chemical shift correlated to the quadrupolar interaction. The dependence upon the quadrupolar interaction and the RF field strength of coherence transfers involved in the MQ-MAS experiment are taken into account in the present approach. The performance of the inversion procedure is examined. Thereafter, the authors attempt to correlate the distributions of each interaction to structural local information. Two complex glasses (a borosilicate and a basaltic-like glass) have been studied using {sup 17}Al and {sup 23}Na 3Q-MAS NMR. These two nuclei allowed the investigation of their local environment. The interpretation of the different site distributions is discussed in terms of topological disorder, i.e., the distribution of specific geometrical parameters such as bond distances and angles. Using the empirical relationships previously established with crystalline silicate compounds, the distributions of the Na-O distance and the Al-O-Si bond angle have been determined from the extracted distributions of the isotropic chemical shift. The limits of the interpretation of quadrupolar interaction distributions are also discussed.
- Research Organization:
- CEA Saclay, Gif sur Yvette (FR)
- OSTI ID:
- 20013640
- Journal Information:
- Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical, Journal Name: Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical Journal Issue: 47 Vol. 103; ISSN 1089-5647; ISSN JPCBFK
- Country of Publication:
- United States
- Language:
- English
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