Specular reflectance (SR) and attenuated total reflectance (ATR) infrared (IR) spectroscopy of transparent flat glass surfaces: A case study for soda lime float glass

Abstract

This paper describes the optical principles of specular reflection (SR) and attenuated total reflection (ATR)-infrared (IR) spectroscopy, both of which are useful methods for glass surface analyses. It should be noted that the shape, position, and relative intensity of peaks in reflectance spectra vary drastically depending on the IR incidence angle as well as the probe method (SR vs. ATR). For example, in SR-IR analyses of soda lime glass, the Si-O-Si stretch band shows a blue-shift from its original position and a new peak grows at ~1200 cm-1 as the IR incidence angle increases. In contrast, the Si-O-Si stretch band appears be significantly red-shifted from its original position in the ATR-IR spectra of soda lime glass. SR-IR spectra of

Molecular dynamics study of correlations between IR peak position and bond parameters of silica and silicate glasses: Effects of temperature and stress

“…In principle, the Kramers‐Kronig (KK) algorithm can be used to convert the experimental reflectance spectrum to the spectrum; but many commercial KK conversions does not work reliably for the silicate bands of glass. In such cases, the reflectance spectra could be used as an alternative (but, caution must be taken since the true peak position might be different) . In most experimental works reported in the literature (and Figure as well), the maximum intensity position (ω mp ) is normally used, which corresponds to the most probable value in the distribution.…”

“…Also, artificial jumps of ions across the periodic boundary in the MD trajectory were removed in this calculation. The real and imaginary components of complex refractive index () were calculated from the complex dielectric constant and the reflectance spectrum () was calculated from the complex refractive index …”

Chemical structure and mechanical properties of soda lime silica glass surfaces treated by thermal poling in inert and reactive ambient gases

“…A gold mirror was used as a reference background. The approximate information depth from SR‐IR analysis is 0.5‐2 μm in the Si–OH and Si–O–Si asymmetric stretching vibration region (900‐1100 cm −1 ) . Attenuated total reflectance IR (ATR‐IR) spectroscopy was performed with a Bruker Hyperion 3000 Microscope (Bruker, Co.) equipped with a Ge ATR crystal with 60 incidence angle and a Bruker V70 (Bruker, Co) equipped with a diamond ATR crystal with 45 incidence angle.…”

“…~420 N was applied from diamond crystal over 1.5 mm 2 area during the ATR‐IR analysis. Based on the refractive index of the pristine SLS glass, the information depth of ATR‐IR in the spectral range between 4000 cm −1 and 1200 cm −1 is estimated to be 0.5‐1.75 μm when the Ge crystal is used and 1.5‐2.5 μm when the diamond crystal is used …”

Correlation between IR peak position and bond parameter of silica glass: Molecular dynamics study on fictive temperature (cooling rate) effect

“…() and (), respectively. The small difference in the peak position between the absorbance and reflectance data is due to the dispersion effect in reflection [Color figure can be viewed at wileyonlinelibrary.com]…”