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Elsevier, Journal of Solid State Chemistry, 9(182), p. 2402-2408, 2009

DOI: 10.1016/j.jssc.2009.06.025

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Determination of the bond-angle distribution in vitreous B2O3 by 11B double rotation (DOR) NMR spectroscopy

Journal article published in 2009 by I. Hung ORCID, A. P. Howes, B. G. Parkinson, T. Anupõld, A. Samoson, S. P. Brown, P. F. Harrison, D. Holland, R. Dupree ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The B-O-B bond angle distributions for both ring and non-ring boron sites in vitreous B2O3 have been determined by B-11 double rotation (DOR) NMR and multiple-quantum (MQ) DOR NMR. The [B3O6] boroxol rings are observed to have a mean internal B-O-B angle of 120.0+/-0.7 degrees with a small standard deviation, sigma(R) = 3.2+/-0.4 degrees, indicating that the rings are near-perfect planar, hexagonal structures. The rings are linked predominantly by non-ring [BO3] units, which share oxygens with the boroxol ring, with a mean B-ring-O-Bnon-ring angle of 135.1+/-0.6 degrees and sigma(NR) = 6.7+/-0.4 degrees. In addition, the fraction of boron atoms, f, which reside in the boroxol rings has been measured for this sample as f = 0.73+/-0.01. (C) 2009 Elsevier Inc. All rights reserved.