摘要
在直接计算分子配分函数的基础上,将无转动跃迁偶极矩平方近似为一常数,计算了线形四原子分子C2H2010011 u-000101 g跃迁在常温、中等温度和高温下的线强度.计算结果在300 K及中等温度500和800 K时与HITRAN数据库的结果吻合相当好.在温度高达3000 K时与HITRAN数据库的结果仍符合较好,表明分子配分函数和线强度的高温计算是可靠的.在此基础上,进一步计算了线形四原子分子C2H2010011 u-000101 g跃迁带在极端高温4000和5000 K的线强度并报道其模拟光谱.计算结果对大气分子高温光谱的实验测量和理论研究均有一定的参考价值.
The line intensities of 010011 u- 000101 g transition of linear tetratomic molecule C2H2 at several temperature 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 intensities data at 300,500, 800 and 3000 K 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 010011 u- 000101 g transition band at the higher temperature 4000 K and 5000 K were presented. The results are of significance for the studying of the molecular high-temperature spectrum including experimental measurements and theoretical calculation.
出处
《四川大学学报（自然科学版）》
CAS
CSCD
北大核心
2007年第3期725-728,共4页
Journal of Sichuan University(Natural Science Edition)
基金
贵州省教育厅自然科学基金(黔教科2006204)
关键词
高温光谱
线型四原子分子
线强度
配分函数
乙烯
high-temperature spectrum, linear tetratomic molecule, line intensities, partition function, acetylene
