On the Absence of Doubly Bonded Te═O Groups in TeO2 Glass

Volume: 124, Issue: 27, Pages: 5746 - 5753
Published: Jun 15, 2020
Abstract
Tellurium oxide clusters (TeO2)6 were investigated through density functional theory to gain information on the structure of TeO2 glass. Among a large number of stable conformers studied, a cyclic, nonsymmetric structure was optimized without terminal Te═O double bonds. The dimer of this structure, (TeO2)12, gives calculated Raman and infrared spectra in very good agreement with the experimental ones, with its total pair distribution function...
Paper Details
Title
On the Absence of Doubly Bonded Te═O Groups in TeO2 Glass
Published Date
Jun 15, 2020
Volume
124
Issue
27
Pages
5746 - 5753
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