High Temperature Spectrum for ν3 Band of Carbon Dioxide

The total internal partition sums (TIPS) are calculated at the temperature up to 6000 K for 12C16O2. Using the calculated partition functions, we produce the line intensities of ν3 band of 12C16O2 at several high temperatures. The results show that the calculated line intensities are in very good agreement with those of HITRAN database at the temperature up to 3000 K, which provides a strong support for the calculations of TIPS and line intensities at high temperature. Then the calculation is extended to further high temperature, and the simulated spectra of ν3 band of 12C16O2 at 5000 and 6000 K are reported.