skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Structural characterization of glass from the inversion of {sup 23}Na and {sup 27}Al 3Q-MAS NMR spectra

Abstract

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.

Authors:
; ; ;
Publication Date:
Research Org.:
CEA Saclay, Gif sur Yvette (FR)
OSTI Identifier:
20013640
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical
Additional Journal Information:
Journal Volume: 103; Journal Issue: 47; Other Information: PBD: 25 Nov 1999; Journal ID: ISSN 1089-5647
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; STRUCTURAL CHEMICAL ANALYSIS; GLASS; NUCLEAR MAGNETIC RESONANCE; CHEMICAL SHIFT; SODIUM; ALUMINIUM

Citation Formats

Angeli, F, Charpentier, T, Faucon, P, and Petit, J C. Structural characterization of glass from the inversion of {sup 23}Na and {sup 27}Al 3Q-MAS NMR spectra. United States: N. p., 1999. Web. doi:10.1021/jp9910035.
Angeli, F, Charpentier, T, Faucon, P, & Petit, J C. Structural characterization of glass from the inversion of {sup 23}Na and {sup 27}Al 3Q-MAS NMR spectra. United States. https://doi.org/10.1021/jp9910035
Angeli, F, Charpentier, T, Faucon, P, and Petit, J C. Thu . "Structural characterization of glass from the inversion of {sup 23}Na and {sup 27}Al 3Q-MAS NMR spectra". United States. https://doi.org/10.1021/jp9910035.
@article{osti_20013640,
title = {Structural characterization of glass from the inversion of {sup 23}Na and {sup 27}Al 3Q-MAS NMR spectra},
author = {Angeli, F and Charpentier, T and Faucon, P and Petit, J C},
abstractNote = {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.},
doi = {10.1021/jp9910035},
url = {https://www.osti.gov/biblio/20013640}, journal = {Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical},
issn = {1089-5647},
number = 47,
volume = 103,
place = {United States},
year = {1999},
month = {11}
}