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Eight silicate unit vibrational modes were identified in a suite of PbO-SiO 2  glasses using micro-reflectance Fourier Transform infrared (μR-FTIR) spectra that were transformed using the Kramers- Kronig relation. The transformed FTIR spectra, in the 800-1200 cm -1  range, were deconvolved systematically into eight Voigt-shaped bands at centers that were predicted from the second derivative of the spectra. The area of the eight bands varied as a function of SiO 2  content, and these trends were combined with theoretical constraints to identify and assign the bands to seven provisional silicate units: SiO 4  4-  (830 and 860 cm -1 ), Si 2 O 7  6-  (900 cm -1 ), Si 6 O 18  12-  (950 cm -1 ), Si 2 O 6  4-  (980 cm -1 ), Si 4 O 11  6-  (1010 cm -1 ), Si 2 O 5  2-  (1050 cm -1 ), and SiO 2  (1100 cm -1 ). The provisional units were then grouped according to their NBO/T values: NBO/T = 4 (SiO 4  4- ), NBO/T = 3 (Si 2 O 7  6- ), NBO/T = 2 (Si 6 O 18  12-  and Si 2 O 6  4- ), NBO/T = 1 (Si 4 O 11  6-  and Si 2 O 5  2- ) and NBO/T = 0 (SiO 2 ). The derived quantities of each NBO/T unit compare favorably with nuclear magnetic resonance data for PbO-SiO2 glasses reported in the literature. This new approach for determining glass structure is advantageous because it may be performed on small Fe-bearing samples with minimal preparation, and analyses are rapid and relatively inexpensive.

A new approach to determine and quantify structural units in silicate glasses using micro-reflectance Fourier-Transform infrared spectroscopy