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High-resolution spectra of 2νOH overtone of trans-formic acid in the supersonic jet
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2022-07-21 , DOI: 10.1016/j.jqsrt.2022.108319
Vít Svoboda , Jozef Rakovský , Ondrej Votava

First high-resolution low-temperature spectrum of the 2νOH overtone of trans-formic acid have been measured using direct-absorption laser spectroscopy. The supersonic cooling in the jet expansion to 37 K has dramatically simplified the complex ro-vibrational structure of the band due to the thermal depopulation of higher-lying rotational states. Altogether, 597 lines have been measured with a line-position accuracy better than 0.001 cm1, and 441 of them have been reliably assigned using a custom-build program for a line-by-line assignment using the ground state combination differences. In total, 39 low-lying upper rotational states of the overtone vibration have been calculated from these line assignments. Moreover, some additional states have been also identified and tentatively assigned to a bath of dark states present in this spectral region. A global fit using A-reduced Watson’s type Hamiltonian in Ir representation has been performed to obtain several ro-vibrational constants for the 2νOH vibration. In addition, the fit demonstrates the effect of numerous perturbations in the rotational structure.



中文翻译:

超音速射流中反式甲酸 2νOH 泛音的高分辨率光谱

首个高分辨率低温光谱2ν使用直接吸收激光光谱法测量了反式甲酸的泛音。射流膨胀到 37 K 时的超音速冷却极大地简化了带的复杂旋转振动结构,这是由于较高旋转状态的热减少。总共测量了 597 条线,线位置精度优于 0.001 厘米-1,其中 441 个已使用自定义构建程序可靠地分配,使用基态组合差异进行逐行分配。总共从这些线分配中计算了 39 个低位的泛音振动的上旋转状态。此外,还确定了一些其他状态,并暂时将其分配给该光谱区域中存在的暗状态浴。使用 A-reduced Watson 类型 Hamiltonian 的全局拟合r已经进行了表示以获得几个旋转振动常数2ν振动。此外,拟合证明了旋转结构中许多扰动的影响。

更新日期:2022-07-21
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