Study on High-Temperature Spectra of Asymptotic Asymmetric-Top Molecule O_3  

作　　者：SONG Xiao-Shu GUO Yun-Dong LING-HU Rong-Feng Lv Bing CHENG Xin-Lu YANG Xiang-Dong 

机构地区：[1]School of Physics and Chemistry, Guizhou Normal University, Guiyang 550001, China [2]Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China [3]Department of Physics, Neijiang Teacher＇s College, Neijiang 641112, China

出　　处：《Communications in Theoretical Physics》2008年第8期481-485,共5页理论物理通讯（英文版）

基　　金：supported by National Natural Science Foundation of China under Grant No.10574096;the Major Program for Basic Research of National Security of China under Grant No.5134202-04;the Natural Science Foundation of the Bureau of Education of Guizhou Province under Grant No.2006204

摘　　要：The line intensities of 001-000 transition of the asymptotic asymmetric-top Oa molecule at several temperatures 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 internM 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 fine 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.

关 键 词：asymptotic asymmetric-top molecule line intensities partition functions high temperature spectrum 

分 类 号：O43[机械工程—光学工程]