On the spectral similarity of bridging and nonbridging oxygen in tellurites.
We show by high field (17)O 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 TeO(2) crystal solid forms, due to the pseudo-Jahn-Teller distortion induced by the two additional valence electrons present in Te(IV) as compared to Si(IV).
Hart
R T
RT
Intense Pulsed Neutron Source, Argonne National Laboratory, Argonne, Illinois, USA.
Zwanziger
J W
JW
Werner-Zwanziger
U
U
Yates
J R
JR