在毫米和亚毫米波长下甲基丙烯酸酯CH $_3$ SH的旋转spectroscopy
Rotational spectroscopy of methyl mercaptan CH$_3$$^{32}$SH at millimeter and submillimeter wavelengths
摘要：
我们提出了一个新的全球研究的毫米波（mm），亚毫米波（sub-mm），太赫兹（THz）光谱的最低三个扭转状态的甲基双（CH $_3$ SH）。使用哈尔科夫毫米波和科隆亚毫米波光谱仪在50和510 GHz之间进行了新的测量，而太赫兹光谱记录来自我们以前的研究。新的数据，涉及扭转-旋转过渡$J$高达61和$K_a$高达18，结合以前发表的测量和拟合使用ρ轴方法扭转-旋转哈密顿量。最后的拟合使用124个参数，得到一个整体加权均方根偏差为0.72的数据集组成的6965微波（MW）和16345远红外线频率采样过渡内和之间的地面，第一，第二激发扭转状态。这项研究提出了一个两倍的扩展$J$量子数和显着改善的拟合质量，特别是MW部分的数据，从而使我们能够提供更可靠的预测，以支持天文观测。
英文摘要：
We present a new global study of the millimeter (mm) wave, submillimeter (sub-mm) wave, and terahertz (THz) spectra of the lowest three torsional states of methyl mercaptan (CH$_3$SH). New measurements have been carried out between 50 and 510 GHz using the Kharkiv mm wave and the Cologne sub-mm wave spectrometers whereas THz spectra records were used from our previous study. The new data, involving torsion-rotation transitions with $J$ up to 61 and $K_a$ up to 18, were combined with previously published measurements and fit using the rho-axis-method torsion-rotation Hamiltonian. The final fit used 124 parameters to give an overall weighted root-mean-square deviation of 0.72 for the dataset consisting of 6965 microwave (MW) and 16345 far-infrared line frequencies sampling transitions within and between the ground, first, and second excited torsional states. This investigation presents a two-fold expansion in the $J$ quantum numbers and a significant improvement in the fit quality, especially for the MW part of the data, thus allowing us to provide more reliable predictions to support astronomical observations.
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