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

Song Xiao-Shu | Zendy; Linghu Rong-Feng | Zendy; Bing Lu | Zendy; Xinlu Cheng | Zendy; Yang Xiang-Dong | Zendy

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

Author(s) -

Song Xiao-Shu,

Linghu Rong-Feng,

Bing Lu,

Xinlu Cheng,

Yang Xiang-Dong

Publication year - 2008

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.57.3440

Subject(s) - hitran , spectral line , physics , dipole , intensity (physics) , transition dipole moment , line (geometry) , atomic physics , moment (physics) , partition function (quantum field theory) , molecular physics , materials science , quantum mechanics , geometry , mathematics

The line intensities of 1- 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 databasewhich provide a strong support for the calculations of partition function and line intensity at high temperature. Therebythe line intensities and spectral simulations of 1- 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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