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A coupled-channel deperturbation treatment of the X 2Σ + ∼ A 2Π ∼ B 2Σ + complex of the CN radical towards spectroscopic accuracy

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. Green open access

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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
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