Ultraviolet photoabsorption in the B³Σ⁻—X³Σ⁻ and C³Π—X³Σ⁻ band systems of SO sulphur isotopologues

Supplementary data for:  A. N. Heays, G. Stark, J. R. Lyons, N. de Oliveira, B. R. Lewis & S. T. Gibson (2022) Ultraviolet photoabsorption in the B³Σ^- − X³Σ^- and C³Π − X³Σ^- band systems of SO sulphur isotopologues, Molecular Physics, DOI: 10.1080/00268976.2022.2153092

Preprint: https://arxiv.org/abs/2301.05230

The "hybrid" line lists and cross sections are recommended for application, in preference to the "experimental" and "model" versions.

• experimental_spectrum_*: Raw experimental spectrum.
• experimental_vibrational_levels: A list of fitted band-by-band or assumed molecular parameters for all electronic-vibrational levels contributing to the measured spectra.
• experimental_vibrational_linewidths: A list of fitted band-by-band or assumed linewidths for electronic-vibrational levels contributing to the measured spectra.
• experimental_vibrational_spin_orbit_interactions: A list of fitted band-by-band or assumed spin-orbit interactions mixing B- and C-state electronic-vibrational levels.
• experimental_vibrational_transition_moments: A list of fitted band-by-band or assumed transition moments for all electronic-vibrational transitions contributing to the measured spectra.
• experimental_lines: A list of line frequencies, intensities and widths fitted band-by-band to the measured spectra.
• experimental_rotational_levels: A list of level energies and natural linewidths fitted band-by-band to the measured spectra.
• experimental_unassigned_lines: Unassigned lines attributed to ³³S¹⁶O C(4)—X(0).
• model_lines: A list of line frequencies and intensities computed from the global electronic-state model.
• hybrid_lines: A list of line frequencies, intensities, widths, and upper-level nonradiative decay probabilities that combines data from lines fitted band-by-band to the experimental spectra and computed from a global electronic-state model.
• potential_energy_curve_B: Potential-energy curve of a diabatic B-state fitted as part of a global electronic-state model.
• potential_energy_curve_C: Potential-energy curve of a diabatic C-state fitted as part of a global electronic-state model.
• potential_energy_curve_X: Potential-energy curve of the X ground state computed by the RKR method from data in Lattanzi, Cazzoli, and Puzzarini (Astrophy. J. 2015, 813:4).
• experimental_photoabsorption_cross_section_*: Photoabsorption cross sections computed from experimental_lines for a range of isotopologues and temperature in hdf5 format.
• model_photoabsorption_cross_section_*: Photoabsorption cross sections computed from model_lines for a range of isotopologues and temperature in hdf5 format.
• model_photodissociation_cross_section_*: Photodissociation cross sections computed from model_lines for a range of isotopologues and temperature in hdf5 format.
• hybrid_photoabsorption_cross_section_*: Photoabsorption cross sections computed from hybrid_lines for a range of isotopologues and temperature in hdf5 format.
• hybrid_photodissociation_cross_section_*: Photodissociation cross sections computed from hybrid_lines for a range of isotopologues and temperature in hdf5 format