Intensities of KCs E(4)1Σ+→(a3Σ+,X1Σ+) band system up to dissociation threshold: an interplay between spin-orbit, hyperfine and rovibronic coupling effects

Klincare, I.; Tamanis, M.; Ferber, R.; Pazyuk, E.A.; Stolyarov, A.V.; Havalyova, I.; Pashov, A.

Авторы: Klincare I., Tamanis M., Ferber R., Pazyuk E.A., Stolyarov A.V., Havalyova I., Pashov A.
Журнал: Journal of Quantitative Spectroscopy and Radiative Transfer
Том: 292
Номер: December
Год издания: 2022
Издательство: Pergamon Press Ltd.
Местоположение издательства: United Kingdom
Номер статьи: 108351
DOI: 10.1016/j.jqsrt.2022.108351
Аннотация: The relative intensity distribution in the rotationally resolved laser-induced fluorescence spectra belonging to the band systems of the KCs molecule was analyzed. The experimental intensities in doublet progressions assigned to spin-allowed and spin-forbidden transitions up to their common ground dissociation limit were described in the framework of a coupled-channels (CC) deperturbation model applied for the interacting and states. The CC intensity simulation was based solely on fixed electronic structure parameters as functions of the internuclear distance , namely: accurate empirical potential energy curves for all three states, ab initio estimates for matrix elements of the hyperfine structure (HFS), and transition dipole moments and . A comparison between the measured intensities and their theoretical counterparts demonstrates a strong competition between different intramolecular interactions. A weak spin-orbit coupling of the upper state with the remote states is responsible for appearance of the vibrational bands for the intermediate -values. In turn, the HFS coupling between and states leads to peculiarities in intensities, which are pronounced for high -values in the vicinity of K(4)+Cs(6) dissociation threshold. Both adiabatic ro-vibrational and non-adiabatic electronic-rotational interactions explain the abrupt deviation of some observed intensity ratios from the expected Hönl-London factors.
Добавил в систему: Столяров Андрей Владиславович

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Intensities of KCs E(4)1Σ+→(a3Σ+,X1Σ+) band system up to dissociation threshold: an interplay between spin-orbit, hyperfine and rovibronic coupling effectsстатья Исследовательская статья

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