Quantitative Analysis of the in situ Fourier Transform Infrared Absorption and Emission Spectrum of Gas-Phase SiO (Δ v = 1 and 2) Produced in Si—N—O Fiber Growth

Abstract

The in situ Fourier transform infrared (FT-IR) spectrum of gas-phase SiO produced in silicon oxynitride fiber growth has been quantitatively analyzed. Both absorption and emission FT-IR spectra at a spectral resolution of 0.5 cm⁻¹ were produced from the reaction zone at 1450 °C. The fundamental and hot bands were observed with vibrational levels up to v = 7. For the purposes of quantitative analysis the individual vibration–rotation integrated line strengths for the three main isotopes, ²⁸SiO, ²⁹SiO, and ³⁰SiO, were calculated based on ab initio quantum chemical calculations of the electric dipole moment function and the transition moment. Vibrational anharmonicity and Hermann–Wallis correction factors were also incorporated. From the line strengths at specific temperatures and the known Dunham coefficients, the absorbance spectrum was simulated with best fits giving the averaged SiO concentration in the 400 mm reaction zone of 1.0 × 10¹⁷ molecules/cm³. Such quantitative measurements demonstrate the power of in situ infrared (IR) spectroscopy combined with quantum chemical calculations. The rapid determination of synthetic calibration datasets for chemometric analysis can thus lead to correlation of gas-phase species concentrations with fiber growth properties and subsequently to real-time process control.