Structural Study of xNa2S + (1 − x)B2S3 Glasses and Polycrystals by Multiple-Quantum MAS NMR of 11B and 23Na Hwang, Sang-Jan Martin, Steve Fernandez, C. Amoureux, Jean Han, Jin-Woo Cho, Jaephil Martin, Steve Pruski, Marek
dc.contributor.department Materials Science and Engineering 2018-02-13T19:50:00.000 2020-06-30T06:08:57Z 2020-06-30T06:08:57Z Thu Jan 01 00:00:00 UTC 1998 2013-08-10 1998-07-29
dc.description.abstract <p>Glasses and polycrystals in the series <em>x</em>Na2S + (1 − <em>x</em>)B2S3 have been prepared and studied by magic angle spinning (MAS) NMR and by two-dimensional multiple-quantum (MQ) MAS NMR of11B and 23Na. These techniques, when applied at various magnetic fields and combined with computer simulations of the spectra, provide new insights into the structure of the polycrystalline samples. Isotropic chemical shifts, quadrupolar parameters, and relative concentrations of the various boron sites are obtained by NMR and correlated with the known structures of boron trisulfide (<em>x</em> = 0), sodium metathioborate (<em>x</em> = 0.5) and sodium orthothioborate (<em>x</em> = 0.75). A structural model of polycrystalline sodium dithioborate (<em>x</em> = 0.33) is proposed. The MQMAS NMR method significantly enhanced the resolution in 11B spectra of <em>x</em>Na2S + (1 − <em>x</em>)B2S3 glasses and proved instrumental in finding and identifying various structural units present within these materials as the modification of the B2S3network progressed with increasing Na2S content. The dominant 11B resonances observed in the glassy samples represent the same basic structural units that were observed in the polycrystalline compounds. In addition, several new resonances featuring trigonally and tetrahedrally coordinated boron atoms in various transitional structures between dithioborate and metathioborate, or between metathioborate and orthothioborate, were found. 23Na NMR proved less informative, especially in the glassy samples where the motion of the sodium ions between various sites precluded the observation of well-resolved spectra.</p>
dc.description.comments <p>Reprinted with permission from <em>Journal of the American Chemical Society</em> 120 (1998): 7337–7346, doi:<a href="" target="_blank">10.1021/ja9800481</a>. Copyright 1998 American Chemical Society.</p>
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dc.identifier.articleid 1067
dc.identifier.contextkey 5035511
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath mse_pubs/68
dc.language.iso en
dc.source.bitstream archive/|||Sat Jan 15 01:28:28 UTC 2022
dc.source.uri 10.1021/ja9800481
dc.subject.disciplines Ceramic Materials
dc.subject.disciplines Materials Science and Engineering
dc.subject.disciplines Physical Chemistry
dc.subject.keywords Ames Laboratory
dc.title Structural Study of xNa2S + (1 − x)B2S3 Glasses and Polycrystals by Multiple-Quantum MAS NMR of 11B and 23Na
dc.type article
dc.type.genre article
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relation.isOrgUnitOfPublication bf9f7e3e-25bd-44d3-b49c-ed98372dee5e
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