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Structural investigation of BaO-B2O3-P2O5 glasses by NMR and Raman spectroscopy
Authors: Koudelka Ladislav | Kalenda Petr | Mošner Petr | Černošek Zdeněk | Montagne Lionel | Revel Bertrand
Year: 2016
Type of publication: článek v odborném periodiku
Name of source: Journal of Molecular Structure
Publisher name: Elsevier Science BV
Place: Amsterdam
Page from-to: 212-219
Titles:
Language Name Abstract Keywords
cze Studium struktury skel BaO-B2O3-P2O5 glasses NMR and Ramanovou spektroskopií Byla připravena a studována skla v ternárním systému BaO-B2O3-P2O5 s obsahem 20-50 mol% BaO, 0-40 mol% B2O3 and 20-60 mol% P2O5. Jejich struktura byla studována Ramanovou spektroskopií, P-31 MAS NMR a B-11 MAS NMR spektroskopií. Získané výsledky byly diskutovány v několika kompozičních řadách A: (100-x) Ba(PO3)(2)-xB2O3, B: 40BaO-yB2O3-(60-y)P2O5, C: (50-z)BaO-zB2O3-50P2O5, D: (60-w)BaO-w-B2O3-40P2O5 a E: uBaO-40B2O3-(60-u)P2O5. Oxid boritý tvoří ve sklech celky BO4 a BO3 a zvyšuje jejich teplotu skelné transformace. Růst Tg je strmý pouze v oblasti 0-20 mol% B2O3 a dosahuje maxima při 30 mol% B2O3. S růstem obsahu B2O3 dochází též k transformaci fosfátových jednotek ve směru Q(1) -> Q(2) -> Q(3) jak ukázala Ramanova spektra a P-31 MAS NMR spektra. B-11 MAS NMR spektra ukázala že ve sklech s 0-20 mol% B2O3 jsou přítomny pouze BO4 celky. Rozkladem 11B MAS NMR spekter je možné zjistit zastoupení jednotlivých strukturních celků vytvářených borem - B(OP)3O, B(OP)2O2 a BO3 v celé sklotvorné oblasti. Struktura skel; fosfátová skla; NMR spektra; Ramanova spektra
eng Structural investigation of BaO-B2O3-P2O5 glasses by NMR and Raman spectroscopy Glasses of the ternary system BaO-B2O3-P2O5 were prepared and studied in broad concentration limits covering the whole vitrification domain: 20-50 mol% BaO, 0-40 mol% B2O3 and 20-60 mol% P2O5. Their structure was studied with combinations of Raman spectroscopy, P-31 MAS NMR spectroscopy and B-11 MAS NMR spectroscopy. The obtained results are discussed in several compositional lines A: (100-x) Ba(PO3)(2)-xB(2)O(3), B: 40BaO-yB2O3-(60-y)P2O5, C: (50-z)BaO-zB2O3-50P(2)O(5), D: (60-w)BaO-w-B2O3-40P(2)O(5) and E: uBaO-40B2O3-(60-u)P2O5. Boron oxide incorporates into the phosphate network in the form of BO4 and BO3 groups and increases their glass transition temperature. Nevertheless, the increase in T-g is only steep within the region of 0-20 mol% B2O3 reaching a maximum at the glasses with similar to 30 mol% B2O3. In the lines A, B and E a decrease in the P2O5 and an increase of B2O3 content results in the shortening of phosphate chains with decreasing P2O5 content; these changes are most pronounced in line B with a constant BaO content. In lines C and D with a constant P2O5 content a decrease in the BaO content results, in contrast, in the reverse transformation of phosphate structural units in the direction Q(1) -> Q(2) -> Q(3) as detected from Raman spectra and P-31 MAS NMR spectra. B-11 MAS NMR spectra revealed that only BO4 units are present in the glasses with 0-20 mol% B2O3. In the glasses of the E series the fraction of BO3 units increases with a decreasing P2O5 content. By the decomposition of the 11B MAS NMR spectra it is possible to estimate the fractions of basic structural units formed by boron - B(OP)(3)O, B(OP)(2)O-2 and BO3 in all the glasses of the glass forming region. Phosphate glasses; NMR spectra; Raman spectra

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