Chu PM, Wetzel SJ, Lafferty WJ, Perrin A, Flaud J, Arcas P, Guelachvili G
Analytical Chemistry and Optical Technology Divisions, National Institute of Standards and Technology, Gaithersburg, Maryland, 20899
J Mol Spectrosc. 1998 May;189(1):55-63. doi: 10.1006/jmsp.1997.7517.
Using both high-resolution (R = 0.003 cm-1) and medium-resolution (R = 0.12 cm-1) Fourier transform spectroscopy, it has been possible to measure accurately a large set of individual line intensities for the nu1 and nu3 bands of SO2 in the 950-1400 cm-1 spectral region. These intensities were introduced into a least-squares fit calculation allowing one to obtain the expansion of the transition moment operator of the nu1 and nu3 bands. For these intensity calculations, the theoretical model takes into account the vibration-rotation interactions linking the upper levels involved in the nu1, 2nu2, and nu3 interacting SO2 bands. Finally, a synthetic spectrum of the 8-µm SO2 bands has been generated using the dipole moment expansion determined in this work and the molecular parameters and the Hamiltonian matrix given in a previous analysis. Copyright 1998 Academic Press.
利用高分辨率(R = 0.003 cm⁻¹)和中分辨率(R = 0.12 cm⁻¹)傅里叶变换光谱,已能够精确测量950 - 1400 cm⁻¹光谱区域内SO₂的ν₁和ν₃带的大量单个谱线强度。将这些强度引入最小二乘拟合计算,从而能够得到ν₁和ν₃带跃迁矩算符的展开式。对于这些强度计算,理论模型考虑了连接ν₁、2ν₂和ν₃相互作用SO₂带中涉及的高能级的振动 - 转动相互作用。最后,利用本工作中确定的偶极矩展开式以及先前分析中给出的分子参数和哈密顿矩阵,生成了8 - µm SO₂带的合成光谱。版权所有1998年学术出版社。