On the Spectral Similarity of Bridging and Nonbridging Oxygen in Tellurites

We show by high field 17O solid-state nuclear magnetic resonance (NMR) and by ab initio calculations of both the NMR and the oxygen 1s photoelectron spectra that the oxygen sites in tellurite glasses show no spectroscopic distinction, even when comparing bridging and nonbridging sites. This is remar...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2005-08, Vol.109 (33), p.7636-7641
Main Authors: Hart, R. T, Zwanziger, J. W, Werner-Zwanziger, U, Yates, J. R
Format: Article
Language:English
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Summary:We show by high field 17O solid-state nuclear magnetic resonance (NMR) and by ab initio calculations of both the NMR and the oxygen 1s photoelectron spectra that the oxygen sites in tellurite glasses show no spectroscopic distinction, even when comparing bridging and nonbridging sites. This is remarkable because two such sites differ formally by a full electronic charge, and they are readily distinguished by these same methods in silicates. We argue that this similarity arises from the symmetry breaking that occurs when the original TeO2 crystal solid forms, due to the pseudo-Jahn−Teller distortion induced by the two additional valence electrons present in TeIV as compared to SiIV.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp052405h