Abstract

Though accurate laboratory studies of malononitrile (CH₂(CN)₂), a dinitrile molecule, have been carried out from time to time, and it has large electric dipole moment \(\mu = 3.735\) D, its detection in a cosmic object is still awaited. Because of two equivalent hydrogen atoms, it has ortho and para species. In order to obtain information about some potential spectral lines of malononitrile, which may play important role for its identification in a cosmic object, we have carried out Sobolev large velocity gradient (LVG) analysis, using spectroscopic data, for each of the species. We have calculated energies of 250 lower rotational levels (up to 98 cm^–1) for each species and the Einstein \(A\) and \(B\) coefficients for 1231 (ortho) and 1229 (para) radiative transitions between the levels. The collisional rate coefficients, required for the analysis, are calculated with the help of a scaling law. Very exciting results are obtained; we have analyzed 6 potential transitions for each species of CH₂(CN)₂, which may play important role in the identification of malononitrile in a cosmic object.

中文翻译：

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在宇宙物体中搜索丙二腈（CH 2（CN）2）的建议：潜在的谱线

摘要

尽管不时进行了对二腈分子丙二腈（CH ₂（CN）₂）的精确实验室研究，并且它具有大的电偶极矩\（\ mu = 3.735 \） D，但它在宇宙中的检测对象仍在等待中。由于有两个等价的氢原子，因此具有邻位和对位物种。为了获得有关丙二腈的某些潜在光谱线的信息，这些信息可能对它在宇宙物体中的识别起重要作用，我们使用光谱数据对每个物种进行了Sobolev大速度梯度（LVG）分析。我们已经计算出250个较低旋转能级的能量（最大98 cm ^–1）和爱因斯坦（123）（正交）和1229（对位）辐射跃迁之间的\（A \）和\（B \）系数。分析所需要的碰撞率系数是通过缩放定律来计算的。获得了非常令人兴奋的结果；我们已经分析了CH ₂（CN）₂每种物种的6个潜在跃迁，这可能在宇宙物体中丙二腈的识别中起重要作用。