Terashkevich, VA;
Pazyuk, EA;
Stolyarov, AV;
Yurchenko, SN;
(2022)
A coupled-channel deperturbation treatment of the X
2Σ
+ ∼ A
2Π ∼ B
2Σ
+ complex of the CN radical towards spectroscopic accuracy.
Journal of Quantitative Spectroscopy and Radiative Transfer
, 292
, Article 108366. 10.1016/j.jqsrt.2022.108366.
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Abstract
A global deperturbation analysis of the experimental rovibronic term values of the X2Σ+, A2Π and B2Σ+ states of the 12C14N isotopomer has been performed. The inverse spectroscopic problem was directly solved in the framework of the reduced 4×4 coupled-channel (RCC) deperturbation model based on potential energy curves (PECs) as well as the spin-orbit and L-uncoupling electronic matrix elements between the X2Σ+, A2Π, and B2Σ+ states. Regular perturbations of the X∼A∼B complex by the remote doublet states manifold were taken into account by introducing of the fine-structure parameters as explicit functions of interatomic distance. The optimized PECs and non-adiabatic coupling functions describe the vast majority (5600–6570) of the empirical term values, attributed to locally and regularly perturbed levels of the complex, with a root-mean-squared deviation of 0.015-0.05 cm−1, depending on a particular set of the experimental term values included in the fitting procedure. The resulting mass-invariant RCC deperturbation parameters can straightforwardly extend a line-list of all CN isotopomers into a wide region of vibrational and rotational quantum numbers.
Type: | Article |
---|---|
Title: | A coupled-channel deperturbation treatment of the X 2Σ + ∼ A 2Π ∼ B 2Σ + complex of the CN radical towards spectroscopic accuracy |
Open access status: | An open access version is available from UCL Discovery |
DOI: | 10.1016/j.jqsrt.2022.108366 |
Publisher version: | https://doi.org/10.1016/j.jqsrt.2022.108366 |
Language: | English |
Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
Keywords: | CN radical, Electronic states, Deperturbation analysis, Coupled-channel approximation |
UCL classification: | UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy UCL > Provost and Vice Provost Offices > UCL BEAMS UCL |
URI: | https://discovery.ucl.ac.uk/id/eprint/10157057 |
1. | China | 6 |
2. | Russian Federation | 6 |
3. | United States | 3 |
4. | Poland | 1 |
5. | United Kingdom | 1 |
6. | Mexico | 1 |
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