Intensity anomalies in the rotational and ro-vibrational spectra of diatomic molecules

摘要

We study the anomalies in the distributions of intensities of transitions in the purely rotational bands and the rotational branches of the vibrational bands within the unperturbed ground electronic states in spectra of diatomic molecules. While normally these distributions follow smooth patterns, sudden drops in intensity values are often observed. We analyze the origin of these anomalies in HF, DF, and CO and find that they are predominantly associated with specific forms of the dipole-moment functions (DMFs). The rotational transitions at which these anomalies occur and their severity are very sensitive to these forms, which makes them a promising tool for refining the empirical DMFs. Published by AIP Publishing.