J/MNRAS/442/1821 ExoMol line list for KCl (Barton+, 2014)
ExoMol molecular line lists.
V: The ro-vibrational spectra of NaCl and KCl.
Barton E.J., Chui C., Golpayegani S., Yurchenko S.N., Tennyson J.,
Frohman D.J., Bernath P.F.
<Mon. Not. R. Astron. Soc. 442, 1821 (2014)>
=2014MNRAS.442.1821B 2014MNRAS.442.1821B
ADC_Keywords: Atomic physics
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
Accurate rotation-vibration line lists for two molecules, NaCl and
KCl, in their ground electronic states are presented. These line lists
are suitable for temperatures relevant to exoplanetary atmospheres and
cool stars (up to 3000K). Isotopologues 23Na35Cl, 23Na37Cl,
39K35Cl, 39K37Cl, 41K35Cl and 41K37Cl are considered.
Laboratory data were used to refine ab initio potential energy curves
in order to compute accurate ro-vibrational energy levels. Einstein A
coefficients are generated using newly determined ab initio dipole
moment curves calculated using the CCSD(T) method. New Dunham Yij
constants for KCl are generated by a re-analysis of a published
Fourier transform infrared emission spectra. Partition functions plus
full line lists of ro-vibration transitions are made available in an
electronic form here and at www.exomol.com.
Description:
The files comprising this line list are in the standard ExoMol format,
and are named sXXkYYcl.dat and tXXkYYcl.dat, where XX and YY are
the mass numbers of the potassium and chlorine isotopes, respectively.
The isotopologues covered are:
(39K)(35Cl), (39K)(37Cl), (41K)(35Cl) and (41K)(37Cl).
The partition functions from 1-3000K in 1K intervals for these
isotopologues of KCl are also provided in files named
pXXkYYcl.dat and consist of two columns (T/K followed by Q).
File Summary:
--------------------------------------------------------------------------------
FileName Lrecl Records Explanations
--------------------------------------------------------------------------------
ReadMe 80 . This file
s39k35cl.dat 32 60741 States for 39K-35Cl
s39k37cl.dat 32 60741 States for 39K-37Cl
s41k35cl.dat 32 60741 States for 41K-35Cl
s41k37cl.dat 32 60741 States for 41K-37Cl
t39k35cl.dat 22 7327760 Transitions for 39K-35Cl
t39k37cl.dat 22 7327760 Transitions for 39K-37Cl
t41k35cl.dat 22 7327760 Transitions for 41K-35Cl
t41k37cl.dat 22 7327760 Transitions for 41K-37Cl
p39k35cl.dat 18 3000 Partition function for 39K-35Cl
p39k37cl.dat 18 3000 Partition function for 41K-37Cl
p41k35cl.dat 18 3000 Partition function for 39K-35Cl
p41k37cl.dat 18 3000 Partition function for 41K-37Cl
--------------------------------------------------------------------------------
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 list for CH4 (Yurchenko+, 2014)
J/MNRAS/445/1383 : ExoMol line list for PN (Yorke+, 2014)
J/MNRAS/446/2337 : ExoMol line list 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/451/5153 : ExoMol line lists for NaH and NaD (Rivlin+, 2015)
www.exomol.com : ExoMol Home Page
Byte-by-byte Description of file: s*.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 5 I5 --- i [1/60741] State ID
7- 18 F12.6 cm-1 E State energy
20- 24 I5 --- g [16/16048] Total state degeneracy (1)
26- 28 I3 --- J [0/501] Total angular momentum quantum number
(excluding nuclear spin)
30- 32 I3 --- v [0/120] Vibrational quantum number v
--------------------------------------------------------------------------------
Note (1): including a nuclear spin degeneracy factor,
gns=16, I(39K)=I(41K)=I(35Cl)=I(37Cl)=3/2
--------------------------------------------------------------------------------
Byte-by-byte Description of file: t*.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 5 I5 --- i0 [2/60740] Upper state ID
7- 11 I5 --- i1 [1/60741] Lower state ID
13- 22 E10.5 s-1 A Einstein A-factor
--------------------------------------------------------------------------------
Byte-by-byte Description of file: p*.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 4 I4 K T [1/3000] Temperature
6- 18 F13.6 --- Q Partition function
--------------------------------------------------------------------------------
Acknowledgements:
Emma Barton, emma.barton.09(at)ucl.ac.uk
Jonathan Tennyson, j.tennyson(at)ucl.ac.uk
References:
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/427/1828
Yurchenko et al., 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.446.2337A 2015MNRAS.446.2337A, 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.451.5153R 2015MNRAS.451.5153R, Cat. J/MNRAS/451/5153
(End) Patricia Vannier [CDS] 19-Mar-2014