An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical
The global mass-invariant coupled-channel deperturbation model of the B ^2 Σ ^+ , A ^2 Π, and X ^2 Σ ^+ states of the CN radical, which reproduces the overall rovibronic term values of mutually perturbed levels with almost spectroscopic accuracy, has been utilized to produce complete line lists of r...
Saved in:
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2024-01-01
|
| Series: | The Astrophysical Journal Supplement Series |
| Subjects: | |
| Online Access: | https://doi.org/10.3847/1538-4365/ad8b40 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1846163533175193600 |
|---|---|
| author | S. V. Kozlov V. A. Terashkevich E. A. Pazyuk A. V. Stolyarov S. N. Yurchenko J. Tennyson |
| author_facet | S. V. Kozlov V. A. Terashkevich E. A. Pazyuk A. V. Stolyarov S. N. Yurchenko J. Tennyson |
| author_sort | S. V. Kozlov |
| collection | DOAJ |
| description | The global mass-invariant coupled-channel deperturbation model of the B ^2 Σ ^+ , A ^2 Π, and X ^2 Σ ^+ states of the CN radical, which reproduces the overall rovibronic term values of mutually perturbed levels with almost spectroscopic accuracy, has been utilized to produce complete line lists of radiative transitions between the X ^2 Σ ^+ , B ^2 Σ ^+ , and A ^2 Π _1/2;3/2 states of CN isotopologues. The Einstein A emission coefficients generated for the A − X , B − X , and B − A transitions provide both lifetimes of the excited states as well as the B → A / X branching ratios. The ab initio permanent and transition dipole moments required are revisited within the framework of the multireference configuration interaction and of the averaged coupled-pair functional methods. An upgraded line list is provided in ExoMol format and employed to simulate intensity distribution into the high-temperature air plasma B → X and A → X spectra as well as in the rotational resolved B → X / A emission bands undergoing strong local B ∼ A ∼ X perturbations. A comparison with laboratory and astronomical spectra shows that the present line list significantly improves the treatment of both locally perturbed and highly excited rotational levels of the B ∼ A ∼ X complex. |
| format | Article |
| id | doaj-art-1ecfbd5903ed4443a0e773f3513a7dc8 |
| institution | Kabale University |
| issn | 0067-0049 |
| language | English |
| publishDate | 2024-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | The Astrophysical Journal Supplement Series |
| spelling | doaj-art-1ecfbd5903ed4443a0e773f3513a7dc82024-11-19T05:44:53ZengIOP PublishingThe Astrophysical Journal Supplement Series0067-00492024-01-0127522910.3847/1538-4365/ad8b40An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN RadicalS. V. Kozlov0https://orcid.org/0000-0002-3619-5554V. A. Terashkevich1https://orcid.org/0000-0003-3844-3811E. A. Pazyuk2https://orcid.org/0000-0003-0568-7801A. V. Stolyarov3https://orcid.org/0000-0001-7046-7202S. N. Yurchenko4https://orcid.org/0000-0001-9286-9501J. Tennyson5https://orcid.org/0000-0002-4994-5238Department of Chemistry, Lomonosov Moscow State University , 119991, Moscow, Leninskie gory 1/3, Russia ; avstol@phys.chem.msu.ruDepartment of Chemistry, Lomonosov Moscow State University , 119991, Moscow, Leninskie gory 1/3, Russia ; avstol@phys.chem.msu.ruDepartment of Chemistry, Lomonosov Moscow State University , 119991, Moscow, Leninskie gory 1/3, Russia ; avstol@phys.chem.msu.ruDepartment of Chemistry, Lomonosov Moscow State University , 119991, Moscow, Leninskie gory 1/3, Russia ; avstol@phys.chem.msu.ruDepartment of Physics and Astronomy, University College London , Gower St., London WC1E 6BT, UK ; s.yurchenko@ucl.ac.ukDepartment of Physics and Astronomy, University College London , Gower St., London WC1E 6BT, UK ; s.yurchenko@ucl.ac.ukThe global mass-invariant coupled-channel deperturbation model of the B ^2 Σ ^+ , A ^2 Π, and X ^2 Σ ^+ states of the CN radical, which reproduces the overall rovibronic term values of mutually perturbed levels with almost spectroscopic accuracy, has been utilized to produce complete line lists of radiative transitions between the X ^2 Σ ^+ , B ^2 Σ ^+ , and A ^2 Π _1/2;3/2 states of CN isotopologues. The Einstein A emission coefficients generated for the A − X , B − X , and B − A transitions provide both lifetimes of the excited states as well as the B → A / X branching ratios. The ab initio permanent and transition dipole moments required are revisited within the framework of the multireference configuration interaction and of the averaged coupled-pair functional methods. An upgraded line list is provided in ExoMol format and employed to simulate intensity distribution into the high-temperature air plasma B → X and A → X spectra as well as in the rotational resolved B → X / A emission bands undergoing strong local B ∼ A ∼ X perturbations. A comparison with laboratory and astronomical spectra shows that the present line list significantly improves the treatment of both locally perturbed and highly excited rotational levels of the B ∼ A ∼ X complex.https://doi.org/10.3847/1538-4365/ad8b40Molecular dataMolecular spectroscopic constantsMolecular spectroscopyExoplanet atmospheresStellar atmospheric opacity |
| spellingShingle | S. V. Kozlov V. A. Terashkevich E. A. Pazyuk A. V. Stolyarov S. N. Yurchenko J. Tennyson An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical The Astrophysical Journal Supplement Series Molecular data Molecular spectroscopic constants Molecular spectroscopy Exoplanet atmospheres Stellar atmospheric opacity |
| title | An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical |
| title_full | An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical |
| title_fullStr | An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical |
| title_full_unstemmed | An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical |
| title_short | An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical |
| title_sort | upgraded line list for radiative transitions between the b 2σ a 2π and x 2σ states of the cn radical |
| topic | Molecular data Molecular spectroscopic constants Molecular spectroscopy Exoplanet atmospheres Stellar atmospheric opacity |
| url | https://doi.org/10.3847/1538-4365/ad8b40 |
| work_keys_str_mv | AT svkozlov anupgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT vaterashkevich anupgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT eapazyuk anupgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT avstolyarov anupgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT snyurchenko anupgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT jtennyson anupgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT svkozlov upgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT vaterashkevich upgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT eapazyuk upgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT avstolyarov upgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT snyurchenko upgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical AT jtennyson upgradedlinelistforradiativetransitionsbetweentheb2sa2pandx2sstatesofthecnradical |