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Herman-Wallis factor for a molecule of type HCN
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2022-05-23 , DOI: 10.1016/j.jqsrt.2022.108274
Konstantin V. Kazakov , Andrey A. Vigasin

We suggest a novel theoretical approach to calculate Herman-Wallis factors in rovibrational spectra of non-centrosymmetric linear molecules possessing a permanent dipole. A fresh glance allowed to extend the theory recently formulated in [K.V. Kazakov and A.A. Vigasin, Phys. Rev. A, 104, 042805 (2021)]. Our obtained expressions for the first Herman-Wallis correction factors result in evaluation of the rovibrational interaction impact on the line intensities belonging to fundamental modes ν1,ν2, and ν3 for H12C14N, H13C14N, H12C15N, D12C14N, D13C14N, and D12C15N. As an auxiliary outcome, the sum rule for the Coriolis constants is generally derived in detail.



中文翻译:

HCN 型分子的 Herman-Wallis 因子

我们提出了一种新的理论方法来计算具有永久偶极子的非中心对称线性分子的振动光谱中的 Herman-Wallis 因子。一个新的视角可以扩展最近在 [KV Kazakov 和 AA Vigasin, Phys. 中提出的理论。牧师。A, 104 , 042805 (2021)]。我们获得的第一个 Herman-Wallis 校正因子的表达式导致评估振动相互作用对属于基本模式的线强度的影响ν1,ν2,ν3对于 H12VS14氮,氢13VS14氮,氢12VS15N, D12VS14N, D13VS14N 和 D12VS15N. 作为辅助结果,一般会详细导出科里奥利常数的求和规则。

更新日期:2022-05-23
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