| Title: |
ExoMol line lists – LXII. Ro-vibrational energy levels and line strengths for the propadienediylidene (C 3 ) in its ground electronic state |
| Authors: |
Lynas-Gray, AE; Polyansky, OL; Tennyson, J; Yurchenko, SN; Zobov, NF |
| Publisher Information: |
Oxford University Press |
| Publication Year: |
2025 |
| Collection: |
Oxford University Research Archive (ORA) |
| Description: |
Improved opacities are needed for modelling the atmospheres and evolution of cool carbon-rich stars and extra-solar planets; in particular, contributions made by the astrophysically important propadienediylidene () molecule need, at a minimum, to be determined using a line list which includes all significant transitions in the energy range of interest. We report variational calculations giving ro-vibrational energy levels and corresponding line strengths for , , and . In the case, we obtain 2166 503 ro-vibrational state energies 2000 cm−1 for the electronic ground state. Comparison with experiment indicates a maximum error of in calculated positions of lines involving an upper state energy 4000 cm−1. For lines with upper state energies 4000 cm−1 to have comparable line-position accuracies, conical intersections would need to be accounted for in an adopted potential energy surface. Line lists and associated opacities are provided in the ExoMol data base (http://www.exomol.com). |
| Document Type: |
article in journal/newspaper |
| Language: |
English |
| Relation: |
https://doi.org/10.1093/mnras/stae2425 |
| DOI: |
10.1093/mnras/stae2425 |
| Availability: |
https://doi.org/10.1093/mnras/stae2425; https://ora.ox.ac.uk/objects/uuid:b5bf6d69-2b3a-4960-a199-48c05e13e9ee |
| Rights: |
info:eu-repo/semantics/openAccess ; CC Attribution (CC BY) |
| Accession Number: |
edsbas.147F803C |
| Database: |
BASE |