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Study on high-temperature spectra of the asymptotic asymmetric-top molecule H122C16O

Song Xiao-Shu Linghu Rong-Feng Lü Bing Cheng Xin-Lu Yang Xiang-Dong

Study on high-temperature spectra of the asymptotic asymmetric-top molecule H122C16O

Song Xiao-Shu, Linghu Rong-Feng, Lü Bing, Cheng Xin-Lu, Yang Xiang-Dong
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  • Received Date:  01 October 2007
  • Accepted Date:  19 October 2007
  • Published Online:  20 June 2008

Study on high-temperature spectra of the asymptotic asymmetric-top molecule H122C16O

  • 1. (1)贵州师范大学理学院,贵阳 550001;四川大学原子与分子物理研究所,成都 610065; (2)四川大学原子与分子物理研究所,成都 610065

Abstract: The line intensities of 100000-000000 transition of asymptotic asymmetric-top molecule H122C16O at several temperatures 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 intensity data at 500 and 3000K 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 100000-000000 transition band at the higher temperature 4000 and 5000K were presented. The results are of significance for studying the high-temperature molecular spectrum by experimental measurement and theoretical calculation.

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