TY - JOUR
T1 - ExoMol line lists - XLIV. Infrared and ultraviolet line list for silicon monoxide (28Si16O)
AU - Yurchenko, Sergei N.
AU - Tennyson, Jonathan
AU - Syme, Anna Maree
AU - Adam, Ahmad Y.
AU - Clark, Victoria H. J.
AU - Cooper, Bridgette
AU - Dobney, C. Pria
AU - Donnelly, Shaun T. E.
AU - Gorman, Maire N.
AU - Lynas-Gray, Anthony E.
AU - Meltzer, Thomas
AU - Owens, Alec
AU - Qu, Qianwei
AU - Semenov, Mikhail
AU - Somogyi, Wilfrid
AU - Upadhyay, Apoorva
AU - Wright, Samuel
AU - Zapata Trujillo, Juan C.
N1 - Publisher Copyright:
© 2021 The Author(s) 2021. Published by Oxford University Press on behalf of Royal Astronomical Society.
PY - 2022/2/1
Y1 - 2022/2/1
N2 - A new silicon monoxide (28Si16O) 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 A, {} {1}Pi and E, {} {1}Sigma {+} electronic states. Strong perturbations to the A, {} {1}Pi band system are accurately modelled through the treatment of six dark electronic states: C, {} {1}Sigma {-}, D, {} {1}Delta, a, {} {3}Sigma {+}, b, {} {3}Pi, e, {} {3}Sigma {-}, and d, {} {3}Delta. Along with the X, {} {1}Sigma {+} ground state, these nine 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, electronic angular momentum, and (transition) dipole moment curves. The ab initio PE and coupling curves, computed at the multireference configuration interaction 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 X-X, E-X, and A-X electronic systems through the MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure. 112 observed forbidden transitions from the C-X, D-X, e-X, and d-X 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 E-X and A-X 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 data base.
AB - A new silicon monoxide (28Si16O) 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 A, {} {1}Pi and E, {} {1}Sigma {+} electronic states. Strong perturbations to the A, {} {1}Pi band system are accurately modelled through the treatment of six dark electronic states: C, {} {1}Sigma {-}, D, {} {1}Delta, a, {} {3}Sigma {+}, b, {} {3}Pi, e, {} {3}Sigma {-}, and d, {} {3}Delta. Along with the X, {} {1}Sigma {+} ground state, these nine 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, electronic angular momentum, and (transition) dipole moment curves. The ab initio PE and coupling curves, computed at the multireference configuration interaction 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 X-X, E-X, and A-X electronic systems through the MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure. 112 observed forbidden transitions from the C-X, D-X, e-X, and d-X 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 E-X and A-X 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 data base.
KW - astronomical data bases: miscellaneous
KW - molecular data
KW - opacity
KW - planets and satellites: atmospheres
KW - stars: low-mass
UR - http://www.scopus.com/inward/record.url?scp=85126677308&partnerID=8YFLogxK
U2 - 10.1093/mnras/stab3267
DO - 10.1093/mnras/stab3267
M3 - Article
AN - SCOPUS:85126677308
SN - 0035-8711
VL - 510
SP - 903
EP - 919
JO - Monthly Notices of the Royal Astronomical Society
JF - Monthly Notices of the Royal Astronomical Society
IS - 1
ER -