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Positions and Intensities in the 2ν4/ν1/ν3Vibrational System of14NH3Near 3 μm
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 1999-01-01 , DOI: 10.1006/jmsp.1998.7728
Kleiner 1 , Brown , Tarrago , Kou , Picqu&eacute , Guelachvili , Dana , Mandin
Affiliation  

Abstract Line positions and line intensities of the ν 1 , ν 3 , and 2ν 4 bands of 14 NH 3 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 ν 1 , ν 3 , and 2ν 4 bands (determined for the first time in the case of the 2ν 4 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 ∼2700 lines with intensities calculated greater than 1 × 10 −4 cm −2 atm −1 at 296 K, suitable for planetological purposes. Tentative assignments involving 22 upper state levels of 4ν s 2 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 ν 1 /ν 3 /2ν 4 of ammonia are briefly discussed.

中文翻译:

14NH3近3 μm的2ν4/ν1/ν3振动系统中的位置和强度

摘要 14 NH 3 的 ν 1 、ν 3 和 2ν 4 谱带的谱线位置和谱线强度使用来自 Orsay 记录的 0.0054 cm -1 变迹分辨率 FT 光谱的谱线位置和来自 0.011 cm -1 未变迹分辨率的谱线强度进行分析在基特峰国家天文台记录的 FT 光谱。分配了大约 2110 条 J ′ ≤ 10 的线,从中使用有效的旋转反转哈密顿量拟合了 1832 个线位置,以实现 0.085 cm -1 的均方根。以 6% 或更高的精度测量了近 1000 条线强度,并建模为 11 个偶极矩扩展项,达到 ±9.4%。ν 1 、ν 3 和2ν 4 带的带强(在2ν 4 带的情况下首次确定)分别为23.6(2)、11.8(1)和2.82(4) cm - 2 /atm 在 296 K。对大约 2700 条线的线位置和强度进行了预测,在 296 K 下计算的强度大于 1 × 10 -4 cm -2 atm -1,适用于行星学目的。确定了涉及 4v s 2 的 22 个上状态水平的暂定分配,但这些未包括在现阶段的建模中。简要讨论了为处理氨的红外系统 ν 1 /ν 3 /2ν 4 而开发的理论模型和程序集。
更新日期:1999-01-01
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