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Title: Structure of TeO 2 glass: Results from 2D 125Te NMR spectroscopy

Abstract

Despite its chemical simplicity, a definitive description of the structure of TeO 2 glass has remained elusive due to the complexity of the Te-O coordination environment. Here, in this work we probe the Te-O coordination environment in glassy TeO 2 using 2D 125Te isotropic-anisotropic chemical shift correlation nuclear magnetic resonance (NMR) spectroscopy. The NMR results are consistent with the presence of two Te-O environments in this glass, characterized by their distinct set of 125Te chemical shift parameters. The dominant environment (~89%) is a distorted trigonal bipyramidal TeO 4 unit, reminiscent of that observed in crystalline γ-TeO 2. A second, minor (~11%) component can be assigned, on the basis of its chemical shift parameters, to a TeO 3 unit. Lastly, the resulting average coordination number, nTeO, measured by 125Te NMR (nTeO ≈ 3.9) is higher than its previously reported value obtained using neutron diffraction (nTeO ≈ 3.7).

Authors:
 [1];  [2];  [3];  [3];  [2];  [1]
  1. Univ. of California, Davis, CA (United States)
  2. Coe College, Cedar Rapids, IA (United States)
  3. National High Magnetic Field Laboratory, Tallahassee, FL (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1543083
Report Number(s):
LLNL-JRNL-764461
Journal ID: ISSN 0022-3093; 954482
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Non-Crystalline Solids
Additional Journal Information:
Journal Volume: 513; Journal Issue: C; Journal ID: ISSN 0022-3093
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; TeO2 glass structure; Two-dimensional 125Te NMR; Isootropicanisotropic chemical shift correlation; Te-O coordination; Raman spectroscopy

Citation Formats

Marple, Maxwell A. T., Jesuit, Martha, Hung, Ivan, Gan, Zhehong, Feller, Steve, and Sen, Sabyasachi. Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy. United States: N. p., 2019. Web. doi:10.1016/j.jnoncrysol.2019.03.019.
Marple, Maxwell A. T., Jesuit, Martha, Hung, Ivan, Gan, Zhehong, Feller, Steve, & Sen, Sabyasachi. Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy. United States. doi:10.1016/j.jnoncrysol.2019.03.019.
Marple, Maxwell A. T., Jesuit, Martha, Hung, Ivan, Gan, Zhehong, Feller, Steve, and Sen, Sabyasachi. Thu . "Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy". United States. doi:10.1016/j.jnoncrysol.2019.03.019.
@article{osti_1543083,
title = {Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy},
author = {Marple, Maxwell A. T. and Jesuit, Martha and Hung, Ivan and Gan, Zhehong and Feller, Steve and Sen, Sabyasachi},
abstractNote = {Despite its chemical simplicity, a definitive description of the structure of TeO2 glass has remained elusive due to the complexity of the Te-O coordination environment. Here, in this work we probe the Te-O coordination environment in glassy TeO2 using 2D 125Te isotropic-anisotropic chemical shift correlation nuclear magnetic resonance (NMR) spectroscopy. The NMR results are consistent with the presence of two Te-O environments in this glass, characterized by their distinct set of 125Te chemical shift parameters. The dominant environment (~89%) is a distorted trigonal bipyramidal TeO4 unit, reminiscent of that observed in crystalline γ-TeO2. A second, minor (~11%) component can be assigned, on the basis of its chemical shift parameters, to a TeO3 unit. Lastly, the resulting average coordination number, nTeO, measured by 125Te NMR (nTeO ≈ 3.9) is higher than its previously reported value obtained using neutron diffraction (nTeO ≈ 3.7).},
doi = {10.1016/j.jnoncrysol.2019.03.019},
journal = {Journal of Non-Crystalline Solids},
number = C,
volume = 513,
place = {United States},
year = {2019},
month = {3}
}

Journal Article:
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This content will become publicly available on March 28, 2020
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