Accurate line lists are important for the description of the spectroscopic nature of small molecules. While a line list for CN (an important molecule for chemistry and astrophysics) exists, no underlying energy spectroscopic model has been published, which is required to consider the sensitivity of transitions to a variation of the proton-to-electron mass ratio. Here we have developed a Duo energy spectroscopic model as well as a novel hybrid style line list for CN and its isotopologues, combining energy levels that are derived experimentally (Marvel), using the traditional/perturbative approach (Mollist), and the variational approach (from a Duo spectroscopic model using standard ExoMol methodology). The final Trihybrid ExoMol-style line list for 12C14N consists of 28 004 energy levels (6864 experimental, 1574 perturbative, the rest variational) and 2285 103 transitions up to 60 000 cm−1 between the three lowest electronic states (X 2Σ+, A 2Π, and B 2Σ+). The spectroscopic model created is used to evaluate CN as a molecular probe to constrain the variation of the proton-to-electron mass ratio; no overly promising sensitive transitions for extragalactic study were identified.

中文翻译：

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CN的全光谱模型和三混合实验-微扰-变分线表

准确的线列表对于描述小分子的光谱性质很重要。虽然存在 CN（化学和天体物理学的重要分子）的行列表，但尚未公布潜在的能谱模型，需要考虑跃迁对质子与电子质量比变化的敏感性。在这里，我们开发了一个 Duo 能谱模型以及 CN 及其同位素体的新型混合样式线列表，结合了实验得出的能级 (Marvel)，使用传统/微扰方法 (Mollist) 和变分方法 (来自使用标准 ExoMol 方法的 Duo 光谱模型）。12C14N 的最终 Trihybrid ExoMol 样式线列表由 28 004 个能级组成（6864 个实验能级，1574 个微扰能级，其余的变分）和 2285 103 在三个最低电子态（X 2Σ+、A 2Π 和 B 2Σ+）之间跃迁高达 60 000 cm-1。创建的光谱模型用于评估 CN 作为分子探针，以约束质子与电子质量比的变化；没有发现对河外研究过于有希望的敏感转变。