二氧化碳非对称同位素^(16)O^(12)C^(17)O00011~00001跃迁带的高温谱线强度

The line intensities for the 00011～00001 transition of ^(16)O^(12)C^(17)O asymmetric isotopic species of carbon dioxide at high temperature

利用本文计算所得配分函数和实验振动跃迁矩平方及Herman-Wallis因子系数,我们计算了二氧化碳同位素16O12C17O分子00011~00001跃迁在296 K和3000 K的线强度.结果显示,在296 K和3000 K时,计算所得线强度与HITRAN数据库提供的数据均符合较好.表明高温下的分子配分函数和线强度的计算是可靠的.从而进一步计算了二氧化碳同位素16O12C17O的00011~00001跃迁在4000 K和5000 K高温下的线强度及模拟光谱.

The line intensities of 00011～00001 transition of ^16O^12C^17O asymmetric isotopic species of carbon dioxide were calculated at 296 K and 3000 K by using our calculated partition functions and experimental transition moment squared and Herman-Waills factor coefficients. Results showed that our line intensities data at 296 K and 3000 K are in excellent agreement with those in HITRAN, which provide a strong support for the calculations of partition function and line intensity at high temperature. Thereby, the line intensities of 00011～00001 transition at the higher temperature 4000 K and 5000 K were calculated and the spectral simulations were presented.