Open AccessStudy on high-temperature spectra of the asymptotic asymmetric-top molecule H122C16O
Author(s) -
Song Xiao-Shu,
Linghu Rong-Feng,
Bing Lu,
Xinlu Cheng,
Xinling Yang
Publication year - 2008
Publication title -
wuli xuebao
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.