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

<p>Supplementary data for:&nbsp; A. N. Heays, G. Stark, J. R. Lyons, N. de Oliveira, B. R. Lewis &amp; S. T. Gibson (2022) Ultraviolet photoabsorption in the <em>B</em>³&Sigma;^- &minus; <em>X</em>³&Sigma;^- and <em>C</em>³&Pi; &minus; <em>X</em>³&Sigma;^- band systems of SO sulphur isotopologues, Molecular Physics, DOI: <a href="https://doi.org/10.1080/00268976.2022.2153092">10.1080/00268976.2022.2153092</a></p> <p>Preprint: https://arxiv.org/abs/2301.05230</p> <p>The &quot;hybrid&quot; line lists and cross sections are recommended for application, in preference to the &quot;experimental&quot; and &quot;model&quot; versions.</p> <p>&nbsp;</p> <ul> <li><code>experimental_spectrum_*</code>: Raw experimental spectrum.</li> <li><code>experimental_vibrational_levels</code>: A list of fitted band-by-band or assumed molecular parameters for all electronic-vibrational levels contributing to the measured spectra.</li> <li><code>experimental_vibrational_linewidths</code>: A list of fitted band-by-band or assumed linewidths for electronic-vibrational levels contributing to the measured spectra.</li> <li><code>experimental_vibrational_spin_orbit_interactions</code>: A list of fitted band-by-band or assumed spin-orbit interactions mixing B- and C-state electronic-vibrational levels.</li> <li><code>experimental_vibrational_transition_moments</code>: A list of fitted band-by-band or assumed transition moments for all electronic-vibrational transitions contributing to the measured spectra.</li> <li><code>experimental_lines</code>: A list of line frequencies, intensities and widths fitted band-by-band to the measured spectra.</li> <li><code>experimental_rotational_levels</code>: A list of level energies and natural linewidths fitted band-by-band to the measured spectra.</li> <li><code>experimental_unassigned_lines</code>: Unassigned lines attributed to &sup3;&sup3;S&sup1;⁶O C(4)&mdash;X(0).</li> <li><code>model_lines</code>: A list of line frequencies and intensities computed from the global electronic-state model.</li> <li><code>hybrid_lines</code>: 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.</li> <li><code>potential_energy_curve_B</code>: Potential-energy curve of a diabatic B-state fitted as part of a global electronic-state model.</li> <li><code>potential_energy_curve_C</code>: Potential-energy curve of a diabatic C-state fitted as part of a global electronic-state model.</li> <li><code>potential_energy_curve_X</code>: 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).</li> <li><code>experimental_photoabsorption_cross_section_*</code>: Photoabsorption cross sections computed from <code>experimental_lines</code> for a range of isotopologues and temperature in hdf5 format.</li> <li><code>model_photoabsorption_cross_section_*</code>: Photoabsorption cross sections computed from <code>model_lines</code> for a range of isotopologues and temperature in hdf5 format.</li> <li><code>model_photodissociation_cross_section_*</code>: Photodissociation cross sections computed from <code>model_lines</code> for a range of isotopologues and temperature in hdf5 format.</li> <li><code>hybrid_photoabsorption_cross_section_*</code>: Photoabsorption cross sections computed from <code>hybrid_lines</code> for a range of isotopologues and temperature in hdf5 format.</li> <li><code>hybrid_photodissociation_cross_section_*</code>: Photodissociation cross sections computed from <code>hybrid_lines</code> for a range of isotopologues and temperature in hdf5 format</li> </ul>