Study on High-Temperature Spectra of Asymptotic Asymmetric-Top Molecule O3

• 来源期刊: 理论物理通讯（英文版）
• 年，卷（期）: 2008,（8）
• 页码范围: 481-485
• 页数: 5页
• 语种: 英文

摘要

The line intensities of 001-000 transition of the asymptotic asymmetric-top O3 molecule at several tem-peratures are calculated by directly calculating the partition functions and regarding the rotationless transition dipole moment squared as a constant. The calculated values of the total internal partition sums (TIPS) are consistent with the data of HITRAN database with -0.61% at 296 K. The calculated line intensity data at 500 K and 3000 K are also in excellent agreement with the data in HITRAN database with less than 0.659% and 5.458% at 500 K and 3000 K, which provide a strong support for the calculations of partition function and line intensity at high temperature. Then we extend the calculation to higher temperatures. The line intensities and simulated spectra of v3 band of the asymptotic asymmetric-top O3 molecule at 4000 and 5000 K are reported. The results are of significance for the studying of the molecular high-temperature spectrum including experimental measurements and theoretical calculations.