Study on high-temperature spectra of the asymptotic asymmetric-top molecule H122C16O

Abstract

The line intensities of 100000-000000 transition of asymptotic asymmetric-top molecule H122C16O at several temperatures were calculated by directly calculating the partition functions and regarding the rotationless transition dipole moment squared as a constant. Results showed that the calculated line intensity data at 500 and 3000K are in excellent agreement with the data in HITRAN database，which provide a strong support for the calculations of partition function and line intensity at high temperature. Thereby，the line intensities and spectral simulations of 100000-000000 transition band at the higher temperature 4000 and 5000K were presented. The results are of significance for studying the high-temperature molecular spectrum by experimental measurement and theoretical calculation.