J/MNRAS/452/1702 ExoMol line lists for HNO3 (Pavlyuchko+, 2015)
ExoMol molecular line lists: The spectrum of nitric acid.
Pavlyuchko A.I., Yurchenko S.N, Tennyson J.
<Mon. Not. R. Astron. Soc. 452, 1702 (2015)>
=2015MNRAS.452.1702P 2015MNRAS.452.1702P (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres
Abstract:
Nitric acid is a possible biomarker in the atmospheres of exoplanets.
An accurate line lists is computed for nitric acid (HNO3). This line
list covers wavelenghts longer than 1.42 um (0-7000cm-1) and
temperatures up to 500K. The line list is computed using a hybrid
variational-perturbation theory and empirically tuned potential energy
and dipole surfaces. It comprises almost 7 billion transitions
involving rotations up to J=100. Comparisons with spectra from the
HITRAN and PNNL databases demonstrate the accuracy of our
calculations. Synthetic spectra of water - nitric acid mixtures
suggest that nitric acid has features at 7.5 and 11.25um are capable
of providing a clear signature for HNO3; the feature at 11.25um is
particularly promising. Partition functions plus full line lists of
transitions are made available in an electronic form as supplementary
data to the article and at www.exomol.com.
Description:
The data for each isotopologue are in two parts. The first,
HNO3.states contains a list of rovibronic states. Each state is
labelled with the total angular momentum, state degeneracy, total
parity, vibrational quantum number, projection of the electronic, spin
and total angular momenta. Each state has a unique number, which is
the number of the row in which it appears in the file. This number is
the means by which the state is related to the second part of the data
system, the transitions files.
Because of their size, the transitions are listed in 71 separate
files, each containing all the transitions in a 100cm-1 wavenumber
range. These and their contents are ordered by increasing frequency.
The name of the file includes the lowest frequency in the range; thus
the a-00500.dat file contains all the transitions in the frequency
range 500-600cm-1.
The transition files a-*.dat 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.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
HNO3.states 79 17494715 Labelled rovibronic states
hno3.dat 18 500 Partition function of HNO3
trans/* . 71 Individual transition files
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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)
Byte-by-byte Description of file: HNO3.states
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Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 12 I12 --- N State ID, non-negative integer index
14- 25 F12.6 cm-1 E State energy term value in cm-1
27- 32 I6 --- g Total state degeneracy
34- 40 I7 --- J J-quantum number, the total angular
momentum excluding nuclear spin
45- 46 A2 --- A'/A" Total symmetry (A' or A")
54- 55 I2 --- n1 Normal mode vibrational quantum number
57- 58 I2 --- n2 Normal mode vibrational quantum number
60- 61 I2 --- n3 Normal mode vibrational quantum number
63- 64 I2 --- n4 Normal mode vibrational quantum number
66- 67 I2 --- n5 Normal mode vibrational quantum number
69- 70 I2 --- n6 Normal mode vibrational quantum number
72- 73 I2 --- n7 Normal mode vibrational quantum number
75- 76 I2 --- n8 Normal mode vibrational quantum number
78- 79 I2 --- n9 Normal mode vibrational quantum number
--------------------------------------------------------------------------------
Byte-by-byte Description of file: hno3.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 5 F5.1 --- T Temperature in K
7- 18 F12.5 --- Q Partition function (unitless)
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Byte-by-byte description of files: trans/*
-------------------------------------------------------------------------------
Bytes Format Units Label Explanations
-------------------------------------------------------------------------------
1- 12 I12 --- N' Upper state ID
14- 25 I12 --- N" Lower state ID
27- 36 E10.4 s-1 A Einstein A-coefficient of the transition
-------------------------------------------------------------------------------
Acknowledgements:
S.N. Yurchenko, s.yurchenko(at)ucl.ac.uk
J. Tennyson, j.tennyson(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
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
(End) Patricia Vannier [CDS] 20-May-2015