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

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Hung, I., Howes, A. P., Parkinson, B. G., Anupõld, Tiit, Samoson, A., Brown, Steven P., Harrison, P. F., Holland, D. and Dupree, Ray. (2009) Determination of the bond-angle distribution in vitreous B2O3 by B-11 double rotation (DOR) NMR spectroscopy. Journal of Solid State Chemistry, Vol.182 (No.9). pp. 2402-2408. ISSN 0022-4596

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Official URL: http://dx.doi.org/10.1016/j.jssc.2009.06.025

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.

Item Type: Journal Article
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Science > Physics
Journal or Publication Title: Journal of Solid State Chemistry
Publisher: Academic Press
ISSN: 0022-4596
Date: September 2009
Volume: Vol.182
Number: No.9
Number of Pages: 7
Page Range: pp. 2402-2408
Identification Number: 10.1016/j.jssc.2009.06.025
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Funder: Leverhulme Trust (LT), Engineering and Physical Sciences Research Council (EPSRC), Biotechnology and Biological Sciences Research Council (Great Britain) (BBSRC), University of Warwick
URI: http://wrap.warwick.ac.uk/id/eprint/6369

Data sourced from Thomson Reuters' Web of Knowledge

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