TY - JOUR
T1 - Part 2.125Te NMR study of M2O-TeO2 (M = Li, Na, K, Rb and Cs) glasses
AU - Sakida, Shinichi
AU - Hayakawa, Satoshi
AU - Yoko, Toshinobu
N1 - Funding Information:
The authors thank Professor F. Horii, Mrs K. Omine and Dr H. Kaji of Kyoto University for their helpful advice and assistance in the NMR measurements. They also thank Dr T. Uchino of Kyoto University for Fig. 10 obtained on the basis of the ab initio molecular orbital calculation on clusters modeling TeO 2 glass. One of the authors (T.Y.) also acknowledges a grant by the Asahi Glass Foundation.
Copyright:
Copyright 2018 Elsevier B.V., All rights reserved.
PY - 1999
Y1 - 1999
N2 - The structure of TeO2 and M2O-TeO2 (M - Li, Na, K, Rb and Cs) glasses has been investigated by means of 125Te static and magic-angle spinning (MAS) NMR spectroscopies. On the basis of the relationship between the local structures around Te atoms and the NMR parameters obtained by 125Te NMR spectra of various tellurite crystals, the local structures around Te atoms in TeO2 and M2O-TeO2 glasses were examined. The spectral simulation of static NMR spectra enabled us to discriminate between TeO3 trigonal pyramid (tp) and TeO4 trigonal bipyramid (tbp) and to estimate the fractions of TeO3 tp (N3) and TeO4 tbp (N4). It was concluded that in TeO2 glass TeO4 tbps are connected by sharing their corners as in α-TeO2 crystal. N3 increased and N4 decreased with increasing M2O content. On the basis of a previous structural model, the fractions of TeO4 tbp without a non-bridging oxygen (NBO) atom, TeO4 tbp with an NBO atom, and TeO3 tp with two NBO atoms were calculated. A new model which presents the structural change for M2O-TeO2 glasses has been proposed.
AB - The structure of TeO2 and M2O-TeO2 (M - Li, Na, K, Rb and Cs) glasses has been investigated by means of 125Te static and magic-angle spinning (MAS) NMR spectroscopies. On the basis of the relationship between the local structures around Te atoms and the NMR parameters obtained by 125Te NMR spectra of various tellurite crystals, the local structures around Te atoms in TeO2 and M2O-TeO2 glasses were examined. The spectral simulation of static NMR spectra enabled us to discriminate between TeO3 trigonal pyramid (tp) and TeO4 trigonal bipyramid (tbp) and to estimate the fractions of TeO3 tp (N3) and TeO4 tbp (N4). It was concluded that in TeO2 glass TeO4 tbps are connected by sharing their corners as in α-TeO2 crystal. N3 increased and N4 decreased with increasing M2O content. On the basis of a previous structural model, the fractions of TeO4 tbp without a non-bridging oxygen (NBO) atom, TeO4 tbp with an NBO atom, and TeO3 tp with two NBO atoms were calculated. A new model which presents the structural change for M2O-TeO2 glasses has been proposed.
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U2 - 10.1016/S0022-3093(98)00812-6
DO - 10.1016/S0022-3093(98)00812-6
M3 - Article
AN - SCOPUS:0032762375
VL - 243
SP - 13
EP - 25
JO - Journal of Non-Crystalline Solids
JF - Journal of Non-Crystalline Solids
SN - 0022-3093
IS - 1
ER -