J/MNRAS/459/3890 ExoMol line lists for SO2 (Underwood+, 2016)
ExoMol molecular line lists.
XIV: The rotation-vibration spectrum of hot SO2.
Underwood D.S., Tennyson J., Yurchenko S.N., Huang X., Schwenke D.W.,
Lee T.J., Clausen S., Fateev A.
<Mon. Not. R. Astron. Soc. 459, 3890 (2016)>
=2016MNRAS.459.3890U 2016MNRAS.459.3890U (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres
Abstract:
Sulphur dioxide is well-known in the atmospheres of planets and
satellites, where its presence is often associated with volcanism, and
in circumstellar envelopes of young and evolved stars as well as the
interstellar medium. This work presents a line list of 1.3 billion
32S16O2 vibration-rotation transitions computed using an
empirically-adjusted potential energy surface and an ab initio dipole
moment surface. The list gives complete coverage up to 8000cm-1
(wavelengths longer than 1.25um) for temperatures below 2000K.
Infrared absorption cross sections are recorded at 300 and 500C are
used to validated the resulting ExoAmes line list. The line list is
made available in electronic form as supplementary data to this
article and at www.exomol.com.
Description:
The data are in two parts. The first, 32S-16O2.states
contains a list of rovibrational states. Each state is labelled with 3
vibrational (v1, v2, v3) and 3 rotational (J, Ka, Kc) quantum numbers
and total parity. The total degeneracy is also given to facilitate the
intensity calculations.
Because of their size, the transitions are listed in 80 separate
files, each containing all the transitions in a 100cm-1 frequency
range. These and their contents are ordered by increasing frequency.
The name of the file includes the lowest frequency in the range and
the upper frequency limit; thus the
32S-16O2ExoAmes00500-00600.trans file contains all the transitions
in the frequency range 500-600cm-1 but not including 600cm-1.
The transition files 32S-16O2ExoAmesxxxxx-yyyyy.trans contain
three columns: the reference number in the energy file of the upper
state; that of the lower state; and the Einstein A coefficient of the
transition. The energy file and the transitions files are zipped, and
need to be extracted before use.
File Summary:
--------------------------------------------------------------------------------
FileName Lrecl Records Explanations
--------------------------------------------------------------------------------
ReadMe 80 . This file
32S-16O2.states 68 3270270 Labelled rovibronic states (table3)
trans/* . 80 Individual transition files (table4)
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See also:
J/MNRAS/425/34 : ExoMol line lists for BeH, MgH and CaH (Yadin+, 2012)
J/MNRAS/434/1469 : ExoMol line lists for SiO (Barton+, 2013)
J/MNRAS/437/1828 : ExoMol line list for HCN and HNC (Barber+, 2014)
J/MNRAS/440/1649 : ExoMol line lists for CH4 (Yurchenko+, 2014)
J/MNRAS/442/1821 : ExoMol line list for KCl (Barton+, 2014)
J/MNRAS/445/1383 : ExoMol line list for phosphorus nitride (PN) (Yorke+, 2014)
J/MNRAS/446/2337 : ExoMol line lists for phosphine (PH3) (Sousa-Silva+, 2015)
J/MNRAS/448/1704 : ExoMol line lists for formaldehyde H2CO (Al-Refaie+, 2015)
J/MNRAS/449/3613 : ExoMol line lists for AlO (Patrascu+, 2015)
J/MNRAS/451/634 : ExoMol line lists for NaH and NaD (Rivlin+, 2015)
J/MNRAS/456/4524 : ExoMol line lists for CaO (Yurchenko+, 2016)
Byte-by-byte Description of file: 32S-16O2.states
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
6- 12 I7 --- i [1/3270270] Energy level index
14- 25 F12.6 cm-1 E [0/15000] State energy in wavenumbers
30- 32 I3 --- Gtot [1/331] Total state degeneracy
38- 40 I3 --- J [0/165] Rotational quantum number
45 A1 --- p [0/1] Total parity given by (-1)^(J+p)
51- 52 I2 --- v1 [0/12]? Symmetric stretch quantum number
55- 56 I2 --- v2 [0/37]? Symmetric bend quantum number
59- 60 I2 --- v3 [0/9]? Asymmetric stretch quantum number
63- 64 I2 --- Ka [0/69]? Asymmetric top quantum number
67- 68 I2 --- Kc [0/80]? Asymmetric top quantum number
--------------------------------------------------------------------------------
Byte-by-byte description of files: trans/*
-------------------------------------------------------------------------------
Bytes Format Units Label Explanations
-------------------------------------------------------------------------------
1 - 12 I12 --- i" Upper state ID
13 - 24 I12 --- i' Lower state ID
29 - 42 E14.9 s-1 A Einstein A-coefficient of the transition
-------------------------------------------------------------------------------
Acknowledgements:
D. Underwood, daniel.underwood(at)ucl.ac.uk
S.N. Yurchenko, s.yurchenko(at)ucl.ac.uk
J. Tennyson, j.tennyson(at)ucl.ac.uk
References:
Yadin et al., Paper I 2012MNRAS.425...34Y 2012MNRAS.425...34Y
Barton et al., Paper II 2013MNRAS.434.1469B 2013MNRAS.434.1469B, Cat. J/MNRAS/434/1469
Barber et al., Paper III 2014MNRAS.437.1828B 2014MNRAS.437.1828B, Cat. J/MNRAS/437/1828
Yurchenko & Tennyson, Paper IV 2014MNRAS.440.1649Y 2014MNRAS.440.1649Y, Cat. J/MNRAS/440/1649
Barton et al., Paper V 2014MNRAS.442.1821B 2014MNRAS.442.1821B, Cat. J/MNRAS/442/1821
Yourke et al., Paper VI 2014MNRAS.445.1383Y 2014MNRAS.445.1383Y, Cat. J/MNRAS/445/1383
Sousa-Silva et al., Paper VII 2015MNRAS.446.2337S 2015MNRAS.446.2337S, Cat. J/MNRAS/446/2337
Al-Refaie et al., Paper VIII 2015MNRAS.448.1704A 2015MNRAS.448.1704A, Cat. J/MNRAS/448/1704
Patrascu et al., Paper IX 2015MNRAS.449.3613P 2015MNRAS.449.3613P, Cat. J/MNRAS/449/3613
Rivlin et al., Paper X 2015MNRAS.451..634R 2015MNRAS.451..634R, Cat. J/MNRAS/451/634
Pavlyuchko et al., Paper XI 2015MNRAS.452.1702P 2015MNRAS.452.1702P, Cat. J/MNRAS/452/1702
Paulose et al., Paper XII 2015MNRAS.454.1931P 2015MNRAS.454.1931P, Cat. J/MNRAS/454/1931
Yurchenko et al., Paper XIII 2016MNRAS.456.4524Y 2016MNRAS.456.4524Y, Cat. J/MNRAS/456/4524
(End) Patricia Vannier [CDS] 22-Mar-2016