Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy

Marple, Maxwell A. T.; Jesuit, Martha; Hung, Ivan; Gan, Zhehong; Feller, Steve; Sen, Sabyasachi

doi:10.1016/j.jnoncrysol.2019.03.019

Title: Structure of TeO₂ glass: Results from 2D ¹²⁵Te NMR spectroscopy

Journal Article · Thu Mar 28 00:00:00 EDT 2019 · Journal of Non-Crystalline Solids

DOI:https://doi.org/10.1016/j.jnoncrysol.2019.03.019· OSTI ID:1543083

Marple, Maxwell A. T. ^[1]; Jesuit, Martha ^[2]; Hung, Ivan ^[3]; Gan, Zhehong ^[3]; Feller, Steve ^[2]; Sen, Sabyasachi ^[1]

Univ. of California, Davis, CA (United States)
Coe College, Cedar Rapids, IA (United States)
National High Magnetic Field Laboratory, Tallahassee, FL (United States)

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).

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1543083

Alternate ID(s):: OSTI ID: 1636015

Report Number(s):: LLNL-JRNL-764461; 954482

Journal Information:: Journal of Non-Crystalline Solids, Vol. 513, Issue C; ISSN 0022-3093

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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Features of electronic polarizability and approach to unique properties in tellurite glasses Komatsu, Takayuki; Dimitrov, Vesselin International Journal of Applied Glass Science, Vol. 11, Issue 2 https://doi.org/10.1111/ijag.14776	journal	November 2019

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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

Title: Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy

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Title: Structure of TeO₂ glass: Results from 2D ¹²⁵Te NMR spectroscopy