Chin. Phys. B, 2008, Vol. 17(1): 158-163    DOI: 10.1088/1674-1056/17/1/028
 ATOMIC AND MOLECULAR PHYSICS Prev   Next

# Line intensities of the asymptotic asymmetric-top radical HO2 at high temperatures

Cheng Xin-Lua, Yang Xiang-Donga, Linghu Rong-Fengb, Lü Bingb, Song Xiao-Shuc
a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; b School of Physics and Chemistry, Guizhou Normal University, Guiyang 550001, China; c School of Physics and Chemistry, Guizhou Normal University, Guiyang 550001, China\;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Abstract  The total internal partition sums were calculated in the product approximation at temperatures up to 5000\,K for the asymptotic asymmetric-top HO$_{2}$ molecule. The calculations of the rotational partition function and the vibrational partition function were carried out with the rigid-top model and in the harmonic oscillator approximation, respectively. Our values of the total internal partition sums are consistent with the data of HITRAN database with $-$0.14{\%} at 296\,K. Using the calculated partition functions, we have calculated the line intensities of $\nu _{2}$ band of HO$_{2}$ at several high temperatures. The results showed that the calculated line intensities are in very good agreement with those of HITRAN database at temperatures up to 3000\,K, which provides a strong support for the calculations of partition functions and line intensities at high temperatures. Then we have extended the calculation to higher temperatures. The simulated spectra of $\nu_{2}$ band of the asymptotic asymmetric-top HO$_{2}$ molecule at 4000 and 5000\,K are also obtained.
Received:  11 February 2007      Published:  20 January 2008
 PACS: 33.70.Fd (Absolute and relative line and band intensities) 33.15.Mt (Rotation, vibration, and vibration-rotation constants) 33.20.Sn (Rotational analysis) 33.20.Tp (Vibrational analysis) 31.15.-p (Calculations and mathematical techniques in atomic and molecular physics)
Fund: Project supported by the Major Program for Basic Research of National Security, China (Grant No 5134202-04), by the National Natural Science Foundation of China (Grant No 10574096), and the Natural Science Foundation of the Bureau of Education of Guizhou