English

ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)

Earth and Planetary Astrophysics 2021-11-24 v1 Solar and Stellar Astrophysics Chemical Physics

Abstract

A new silicon monoxide (28^{28}Si16^{16}O) line list covering infrared, visible and ultraviolet regions called SiOUVenIR is presented. This line list extends the infrared EBJT ExoMol line list by including vibronic transitions to the A1ΠA\,{}^{1}\Pi and E1Σ+E\,{}^{1}\Sigma^{+} electronic states. Strong perturbations to the A1ΠA\,{}^{1}\Pi band system are accurately modelled through the treatment of 6 dark electronic states: C1ΣC\,{}^{1}\Sigma^{-}, D1ΔD\,{}^{1}\Delta, a3Σ+a\,{}^{3}\Sigma^{+}, b3Πb\,{}^{3}\Pi, e3Σe\,{}^{3}\Sigma^{-} and d3Δd\,{}^{3}\Delta. Along with the X1Σ+X\,{}^{1}\Sigma^{+} ground state, these 9 electronic states were used to build a comprehensive spectroscopic model of SiO using a combination of empirical and ab initio curves, including the potential energy (PE), spin-orbit (SO), electronic angular momentum (EAM) and (transition) dipole moment curves. The ab initio PE and coupling curves, computed at the multireference configuration interaction (MRCI) level of theory, were refined by fitting their analytical representations to 2617 experimentally derived SiO energy levels determined from 97 vibronic bands belonging to the XX-XX, EE-XX and AA-XX electronic systems through the MARVEL procedure. 112 observed forbidden transitions from the CC-XX, DD-XX, ee-XX, and dd-XX bands were assigned using our predictions, and these could be fed back into the MARVEL procedure. The SiOUVenIR line list was computed using published ab initio transition dipole moments for the EE-XX and AA-XX bands; the line list is suitable for temperatures up to 10,000 K and for wavelengths longer than 140 nm. SiOUVenIR is available from www.exomol.com and the CDS database.

Keywords

Cite

@article{arxiv.2111.04859,
  title  = {ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)},
  author = {Sergei N. Yurchenko and Jonathan Tennyson and Anna-Maree Syme and Ahmad Y. Adam and Victoria H. J. Clark and Bridgette Cooper and C. Pria Dobney and Shaun T. E. Donnelly and Maire N. Gorman and Anthony E. Lynas-Gray and Thomas Meltzer and Alec Owens and Qianwei Qu and Mikhail Semenov and Wilfrid Somogyi and Apoorva Upadhyay and Samuel Wright and Juan C. Zapata Trujillo},
  journal= {arXiv preprint arXiv:2111.04859},
  year   = {2021}
}