J/MNRAS/454/1931 ExoMol line lists for CS isotopologues (Paulose+, 2015)
ExoMol molecular line lists. XII: Line Lists for 8 isotopologues of CS.
Paulose G., Barton E.J., Yurchenko S.N., Tennyson J.
<Mon. Not. R. Astron. Soc. 454, 1931 (2015)>
=2015MNRAS.454.1931P 2015MNRAS.454.1931P (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
Comprehensive vibration-rotation line lists for eight isotopologues of
carbon mono- sulphide (CS) (12C32S, 12C33S, 12C34S,
12C36S, 13C32S, 13C33S, 13C34S, 13C36S) in their
ground electronic states are calculated. These line lists are suitable
for temperatures up to 3000K. A spectroscopically-determined potential
energy curve (PEC) and dipole moment curve (DMC) are taken from
literature. This PEC is adapted to suit our method prior to the
computation of ro-vibrational energies. The calculated energies are
then substituted by experimental energies, where available, to improve
the accuracy of the line lists. The ab initio DMC is used without
refinement to generate Einstein A coefficients. Full line lists of
vibration-rotation transitions and partition functions are made
available in an electronic form at www.exomol.com.
Description:
The files comprising this line list are in the standard ExoMol format,
and are named XXcYYsst.dat, XXcYYstr.dat, where XX and YY are the mass
numbers of the Carbon and Sulphur isotopes, respectively.
The isotopologues covered including their nuclear spin degeneracy factors
g_ns are:
(12C)(32S) g_ns = 1
(12C)(33S) g_ns = 4
(12C)(34S) g_ns = 1
(12C)(36S) g_ns = 1
(13C)(32S) g_ns = 2
(13C)(33S) g_ns = 8
(13C)(34S) g_ns = 2
(13C)(36S) g_ns = 2
The partition functions from 1-3000K in 1K intervals for these
isotopologues of CS are also provided in files named XXcYYspf.dat.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
12c32spf.dat 21 3000 Partition function for 12C32S
12c33spf.dat 21 3000 Partition function for 12C33S
12c34spf.dat 21 3000 Partition function for 12C34S
12c36spf.dat 21 3000 Partition function for 12C36S
13c32spf.dat 21 3000 Partition function for 13C32S
13c33spf.dat 21 3000 Partition function for 13C33S
13c34spf.dat 21 3000 Partition function for 13C34S
13c36spf.dat 21 3000 Partition function for 13C36S
12c32sst.dat 45 11497 Labelled rovibronic states for 12C32S
12c33sst.dat 45 11543 Labelled rovibronic states for 12C33S
12c34sst.dat 45 11579 Labelled rovibronic states for 12C34S
12c36sst.dat 45 11651 Labelled rovibronic states for 12C36S
13c32sst.dat 45 11857 Labelled rovibronic states for 13C32S
13c33sst.dat 45 11900 Labelled rovibronic states for 13C33S
13c34sst.dat 45 11937 Labelled rovibronic states for 13C34S
13c36sst.dat 45 12034 Labelled rovibronic states for 13C36S
12c32str.dat 36 199045 Transition file for 12C32S
12c33str.dat 36 199917 Transition file for 12C33S
12c34str.dat 36 200599 Transition file for 12C34S
12c36str.dat 36 201944 Transition file for 12C36S
13c32str.dat 36 205826 Transition file for 13C32S
13c33str.dat 36 206622 Transition file for 13C33S
13c34str.dat 36 207322 Transition file for 13C34S
13c36str.dat 36 209071 Transition file for 13C36S
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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 PH3 (Sousa-Silva+, 2015)
J/MNRAS/448/1704 : ExoMol line lists for 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)
Byte-by-byte Description of file: 1[23]c3[2346]spf.dat
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Bytes Format Units Label Explanations
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1- 6 F6.1 K T Temperature
9- 21 F13.6 --- Q Partition function
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Byte-by-byte Description of file: 1[23]c3[2346]sst.dat
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Bytes Format Units Label Explanations
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8- 12 I5 --- i State ID
14- 25 F12.6 cm-1 E State energy
29- 32 I4 --- gtot Total state degeneracy(1)
38- 40 I3 --- J Total angular momentum quantum number
(excluding nuclear spin)
44- 45 I2 --- v Vibrational quantum number v
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Note (1): including nuclear spin degeneracy factors g_ns as:
(12C)(32S) g_ns = 1
(12C)(33S) g_ns = 4
(12C)(34S) g_ns = 1
(12C)(36S) g_ns = 1
(13C)(32S) g_ns = 2
(13C)(33S) g_ns = 8
(13C)(34S) g_ns = 2
(13C)(36S) g_ns = 2
(I(13C) = 1/2, I(33S) = 3/2)
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Byte-by-byte Description of file: 1[23]c3[2346]str.dat
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Bytes Format Units Label Explanations
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8- 12 I5 --- i0 Upper state ID
21- 25 I5 --- i1 Lower state ID
27- 36 E10.5 s-1 A Einstein A-factor
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Acknowledgements:
Geethu Paulose, geethu.paulose.12(at)ucl.ac.uk
Emma Barton, emma.barton.09(at)ucl.ac.uk
Jonathan Tennyson, j.tennyson(at)ucl.ac.uk
Sergey Yurchenko, s.yurchenko(at)ucl.ac.uk
References:
Tennyson & Yurchenko, 2012MNRAS.425...21T 2012MNRAS.425...21T
Yadin et al., Paper I 2012MNRAS.425...34Y 2012MNRAS.425...34Y, Cat. J/MNRAS/425/34
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
Yorke 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
(End) Patricia Vannier [CDS] 16-Jul-2015