ExoMol Line Lists -- LXII: Ro-Vibrational Energy Levels and Line-Strengths for the Propadienediylidene (C3) in its Ground Electronic State
Abstract
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 (C3) 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 12C3, 12C13C12C and 12C12C13C. In the 12C3 case we obtain 2166503 ro-vibrational state energies 20000 cm-1 for the electronic X1 g+ ground-state. Comparison with experiment indicates a maximum error of +/- 0.03 cm-1 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 Database http://www.exomol.com ).
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