Line intensities of the asymptotic asymmetric-top radical HO2 at high temperatures

被引:1
|
作者
Song Xiao-Shu [1 ,2 ]
Cheng Xin-Lu [2 ]
Yang Xiang-Dong [2 ]
Linghu Rong-Feng [1 ]
Lv Bing [1 ]
机构
[1] Guizhou Normal Univ, Sch Phys & Chem, Guiyang 550001, Peoples R China
[2] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China
关键词
asymptotic asymmetric-top molecule; line intensities; partition functions; high temperature;
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The total internal partition sums were calculated in the product approximation at temperatures up to 5000 K for the asymptotic asymmetric-top HO2 molecule. The calculations of the rotational partition function and the vibrational partition function were carried out with the rigid-top model and in the harmonic oscillator approximation, respectively. Our values of the total internal partition sums are consistent with the data of HITRAN database with -0.14% at 296 K. Using the calculated partition functions, we have calculated the line intensities Of V2 band of HO2 at several high temperatures. The results showed that the calculated line intensities are in very good agreement with those of HITRAN database at temperatures up to 3000 K, which provides a strong support for the calculations of partition functions and line intensities at high temperatures. Then we have extended the calculation to higher temperatures. The simulated spectra Of V2 band of the asymptotic asymmetric-top HO2 molecule at 4000 and 5000 K are also obtained.
引用
收藏
页码:158 / 163
页数:6
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