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Boroxol groups in vitreous boron oxide: new evidence from neutron diffraction and inelastic neutron scattering studies

Authors
Journal
Journal of Non-Crystalline Solids
0022-3093
Publisher
Elsevier
Publication Date
Volume
177
Identifiers
DOI: 10.1016/0022-3093(94)90544-4

Abstract

Abstract Although the nuclear magnetic resonance (NMR) and neutron diffraction evidence for the majority of the boron atoms in vitreous boron oxide being involved in boroxol groups would seem to be irrefutable, nevertheless several recent papers have challenged this conclusion. The present paper, therefore, examines these claims in the light of neutron diffraction data, with much greater accuracy than those reported previously, and of neutron inelastic scattering results, optimised to give the highest possible energy transfer resolution in the region of the boroxol ring breathing mode. A fit to the interference function, Qi(Q), indicates that the fraction, f, of boron atoms in boroxol groups is 0.80 ± 0.05, while the neutron weighted density of states exhibits a well resolved boroxol ring breathing mode of similar magnitude to the theoretical prediction for a structural model with f = 0.75. Both results confirm the conclusion of the earlier NMR and neutron studies.

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