Line Intensities of ν2 Perpendicular Band and the Change of Intensities with Temperature for H12C14N
SONG Xiao-shu1,2,CHENG Xin-lu2,YANG Xiang-dong2*,LI De-hua3,GE Su-hong2
1. School of Physics and Chemistry, Guizhou Normal University, Guiyang 550001, China 2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China 3. College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610066, China
Abstract：The total internal partition sums (TIPS) were calculated for H12C14N with the product approximation. For rotational partition sums Qrot, the centrifugal distortion corrections were taken into account. The calculation method for the vibrational partition sums Qvib is the harmonic oscillator approximation. The line intensities of ν２ ⊥ band (0110-0000 transition) of H12C14N were calculated at normal temperatures and several high temperatures by using the calculated partition functions and experimental transition moment squared and Herman-Waills factor coefficients. Results showed that our line intensities data at 296 and 3 000 K are in excellent agreement with the data in HITRAN, 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 ν２ ⊥ band at the higher temperatures 4 000 and 5 000 K were presented and the chang in line intensities with the temperature was discussed. For those transitions corresponding to rotational quantum number J≥32 (including P, Q and R branch), the line intensities increase when temperature gradually increase from 296 K. The line intensities are up to the largest at around 1000 K and then weaken rapidly. For J＜32 (also including P, Q and R branch), the line intensities are the largest at 296 K and then weaken rapidly as temperature gradually increase.
Key words：H12C14N;ν2 ⊥ band;Internal partition sums;Line intensities;High temperature
宋晓书1,2,程新路2,杨向东2*,李德华3,葛素红2. H12C14N分子ν2垂直带的高温谱线强度及随温度的变化规律[J]. 光谱学与光谱分析, 2008, 28(04): 726-730.
SONG Xiao-shu1,2,CHENG Xin-lu2,YANG Xiang-dong2*,LI De-hua3,GE Su-hong2. Line Intensities of ν2 Perpendicular Band and the Change of Intensities with Temperature for H12C14N. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2008, 28(04): 726-730.
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