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Spectral Resolution and Raman Q3 and Q2 cross sections in ~40 mol% Na2O glasses

Abstract : There are four 29 Si NMR experimental studies published for glasses containing ~40 mol% Na 2 O and the reported Q species abundances are remarkably consistent. These results have been used to determine accurate Raman Q 3 and Q 2 cross sections for a 40.1 mol% Na 2 O glass. The Q 3 and Q 2 cross sections are respectively 1.10 and 0.95 (±0.03). The Q 2 band of the Raman spectrum is dominantly Lorentzian in shape whereas the Q 3 band is asymmetric and based on other studies, the asymmetry increases with alkali content, due primarily to alkali-BO interactions. As explanation, increase in alkali content enhances preferentially electron density over Si atoms of tetrahedra, thereby weakening Si-O coulombic interactions (i.e., force constants), which shifts the symmetric stretch of the Q 3 species to lower frequencies, producing asymmetric Q 3 line shapes. With Q 2 and Q 3 cross sections established, the high resolution of Raman spectroscopy now can be used to provide highly accurate estimates of Q species in silicate glasses and melts.
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Soumis le : vendredi 15 octobre 2021 - 08:19:14
Dernière modification le : vendredi 21 octobre 2022 - 15:32:40
Archivage à long terme le : : dimanche 16 janvier 2022 - 18:02:52


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H.W. W Nesbitt, G.S. S Henderson, G.M. M Bancroft, D.R. R Neuville. Spectral Resolution and Raman Q3 and Q2 cross sections in ~40 mol% Na2O glasses. Chemical Geology, 2020, 562, pp.120040. ⟨10.1016/j.chemgeo.2020.120040⟩. ⟨hal-03208382⟩



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