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14NH₃在3 µm附近的2ν₄/ν₁/ν₃振动体系中的位置与强度

Positions and Intensities in the 2nu4/nu1/nu3 Vibrational System of 14NH3 Near 3 µm.

作者信息

Kleiner I, Brown LR, Tarrago G, Kou QL, Picqu&eacute N, Guelachvili G, Dana V, Mandin JY

机构信息

Unité Propre du CNRS, Université Paris Sud, Bâtiment 213, Orsay Cedex, 91405, France

出版信息

J Mol Spectrosc. 1999 Jan;193(1):46-71. doi: 10.1006/jmsp.1998.7728.

Abstract

Line positions and line intensities of the nu1, nu3, and 2nu4 bands of 14NH3 were analyzed using line positions from 0.0054 cm-1 apodized resolution FT spectra recorded at Orsay and using line intensities from 0.011 cm-1 unapodized resolution FT spectra recorded at Kitt Peak National Observatory. About 2110 lines with J' </= 10 were assigned from which 1832 line positions were fitted using an effective rotation-inversion Hamiltonian to achieve an rms of 0.085 cm-1. Nearly 1000 line intensities were measured with an accuracy of 6% or better and modeled to 11 terms of dipole moment expansion to +/-9.4%. The bandstrengths of the nu1, nu3, and 2nu4 bands (determined for the first time in the case of the 2nu4 band) are, respectively, 23.6(2), 11.8(1), and 2.82(4) cm-2/atm at 296 K. A prediction of the line positions and intensities was generated for some approximately 2700 lines with intensities calculated greater than 1 x 10(-4) cm-2 atm-1 at 296 K, suitable for planetological purposes. Tentative assignments involving 22 upper state levels of 4nus2 were identified, but these were not included in the modeling at the present stage. The theoretical model and the set of programs developed for treating the infrared system nu1/nu3/2nu4 of ammonia are briefly discussed. Copyright 1999 Academic Press.

摘要

利用在奥赛记录的分辨率为0.0054 cm⁻¹ 经切趾处理的傅里叶变换光谱中的谱线位置,以及在基特峰国家天文台记录的分辨率为0.011 cm⁻¹ 未切趾处理的傅里叶变换光谱中的谱线强度,对¹⁴NH₃的ν₁、ν₃和2ν₄谱带的谱线位置和谱线强度进行了分析。从大约2110条J'≤10的谱线中进行了归属,其中1832个谱线位置使用有效转动反转哈密顿量进行拟合,均方根误差达到0.085 cm⁻¹。测量了近1000条谱线强度,精度达到6%或更高,并对其进行偶极矩展开至11项的建模,误差为±9.4%。ν₁、ν₃和2ν₄谱带(2ν₄谱带首次确定)在296 K时的带强度分别为23.6(2)、11.8(1)和2.82(4) cm⁻²/atm。针对大约2700条在296 K时强度计算大于1×10⁻⁴ cm⁻² atm⁻¹ 的谱线生成了谱线位置和强度的预测,适用于行星学研究。确定了涉及4ν₂₂ 22个上能级的初步归属,但目前这些未包含在建模中。简要讨论了为处理氨的红外系统ν₁/ν₃/2ν₄而开发的理论模型和程序集。版权所有1999年学术出版社。

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