J/MNRAS/437/1828 ExoMol line list for HCN and HNC (Barber+, 2014)
ExoMol line lists.
III: An improved hot rotation-vibration line list for HCN and HNC.
Barber R.J., Strange J.K., Hill C., Polyansky O.L., Mellau G.,
Yurchenko S.N., Tennyson J.
<Mon. Not. R. Astron. Soc. 437, 1828 (2014)>
=2014MNRAS.437.1828B 2014MNRAS.437.1828B
ADC_Keywords: Atomic physics ; Radio lines ; Opacities
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
A revised rotation-vibration line list for the combined hydrogen
cynanide (HCN)/hydrogen isocyanide (HNC) system is presented. The
line list uses ab initio transition intensities calculated previously
(Harris et al., 2002ApJ...578..657H 2002ApJ...578..657H) and extensive datasets of
recently measured experimental energy levels. The resulting line list
has significantly more accurate wavelengths than previous ones for
these systems. An improved value for the separation between HCN and
HNC is adopted leading to an approximately 25% lower predicted thermal
population of HNC as a function of temperature in the key 2000 to
3000K region. Temperature-dependent partition functions and
equilibrium constant are presented. The line lists are validated by
comparison with laboratory spectra and are presented in full as
supplementary data to the article and at www.exomol.com.
Description:
We present an energy level list which contains the ab initio energies
and exact quantum numbers from Harris et al., 2002ApJ...578..657H 2002ApJ...578..657H,
together with lab determined energies and assigned approximate quantum
numbers where available. This energy level list may be used in
conjunction with the existing HCN/HNC line list from Harris et al.,
which has been truncated at a minimum intensity of 3*10-28cm per
molecule at T=3000K. The line list contains 34,418,408 lines and
accounts for 99.99% of the opacity of the full linelist at 3000K.
The data is sorted into increasing frequency order.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
states.dat 62 168110 Energy level list of HCN/HNC
trans.dat 49 34418408 Line list of HCN/HNC
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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/440/1649 : ExoMol line list for CH4 (Yurchenko+, 2014)
J/MNRAS/442/1821 : ExoMol line list for NaCl and KCl (Barton+, 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)
http://www.exomol.com : ExoMol Home Page
Byte-by-byte Description of file: states.dat
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Bytes Format Units Label Explanations
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1- 12 I12 --- i [1/168110] State ID
14- 25 F12.6 cm-1 E State energy
27- 32 I6 --- gtot [6/726] Total state degeneracy (1)
34- 40 I7 --- J [0/60] Total angular momentum quantum number
(excluding nuclear spin)
42 A1 --- par [±] Total parity: '+' or '-'
44 A1 --- kp [e/f] "Kronig" rotationless parity: 'e' or 'f'
46 I1 --- iso [0/1]?=- Isotopomer: iso=0 for HCN, iso=1 for HNC
or - if unknown
48- 50 I3 --- v1 [0/3]?=- v1 vibrational quantum number
52- 54 I3 --- v2 [0/14]?=- v2 vibrational quantum number
56- 58 I3 --- l2 [0/13]?=- l2 vibrational angular momentum
quantum number
60- 62 I3 --- v3 [0/4]?=- v3 vibrational quantum number
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Note (1): including a nuclear spin degeneracy factor, gns=6.
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Byte-by-byte Description of file: trans.dat
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Bytes Format Units Label Explanations
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1- 12 I12 --- i1 [2/168110] Upper state ID
14- 25 I12 --- i0 [1/168110] Lower state ID
27- 36 E10.4 s-1 A Einstein A-factor
38- 49 F12.6 cm-1 nu transition wavenumber
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Acknowledgements:
Christian Hill, christian.hill(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) Christian Hill [UCL], Patricia Vannier [CDS] 21-Aug-2013