Marvel analysis of the measured high-resolution rovibrational spectra of H2S
Katy L. Chubb Olga Naumenko Stefan Keely Sebestiano Bartolotto Skye Macdonald Mahmoud Mukhtar Andrey Grachov Joe White Eden Coleman Anwen Liu Alexander Z. Fazliev Elena R. Polovtseva Veli-Matti Horneman Alain Campargue Tibor Furtenbacher Attila G. Császár Sergei N. Yurchenko Jonathan Tennyson


	
	




 

^a Department of Physics and Astronomy, University College London, London, WC1E 6BT, UK
^b V. E. Zuev Institute of Atmospheric Optics, Siberian Branch Russian Academy of Sciences, Tomsk, Russia
^c Highams Park School, Handsworth Avenue, Highams Park, London, E4 9PJ, UK
^d Hefei National Laboratory for Physical Sciences at Microscale,  University of Science and Technology of China, Hefei 230026, China
^e Department of Physics, University of Oulu, P. O. Box 3000, FIN-90014 University of Oulu, Finland
^f Université  Grenoble Alpes, CNRS, LIPhy, F-38000 Grenoble, France
^g Institute  of Chemistry, Eötvös Loránd University and MTA-ELTE Complex Chemical Systems Research Group,	H-1518 Budapest 112, P.O. Box 32, Hungary



44 325 measured and assigned transitions of , the parent isotopologue of the hydrogen sulfide molecule, are collated from 33 publications into a single database and reviewed critically.
Based on this information, rotation-vibration energy levels are determined for the ground electronic state using the Measured Active Rotational-Vibrational Energy Levels () technique. 
The ortho and para principal components 
of the measured spectroscopic network of  are considered separately. 
The verified set of 25 293 ortho- and 18 778 para- H_2^32S transitions
determine 3969 ortho and 3467 para energy levels. 
The  results are compared with alternative data compilations,
including a theoretical variational linelist.


 analysis of the measured high-resolution rovibrational spectra of 
    Sergei N. Yurchenko^a, Jonathan Tennyson^a[email: j.tennyson@ucl.ac.uk]
    
===========================================================================






§ INTRODUCTION


Hydrogen sulfide, H_2S, is a volcanic gas present on earth and other 
geologically active planets and moons, such as Io <cit.>, 
Venus <cit.>, and, theoretically, hot super-earth "lava" exoplanets <cit.>. It has recently been detected above the clouds in the atmosphere of Uranus <cit.>.
On earth, microbial respiration of seawater sulfate creates a hydrogen sulfide-rich 
ecosystem <cit.>, suggesting that H_2S is a component for a potential 
microbial life sustaining atmosphere on Venus <cit.>,
and a potential biomarker for life on exoplanets <cit.>.
H_2S influences many physiological processes <cit.>, 
it is of importance in the treatment of respiratory diseases <cit.>, 
and it is used as a measure of the quality of air near oil refineries <cit.>.
The parent isotopologue, , was first detected in interstellar space in 
1972 <cit.>. Many of the scientific and engineering applications mentioned require the detailed knowledge of the rovibrational energy levels of .

As part of this work, we present the largest compilation
of published experimental rovibrational transition data for .
The experimental database of H_2^32S transitions has been formatted 
and analysed using the  (Measured Active Rotational-Vibrational Energy Levels)
spectroscopic network (SN) software <cit.>.

This study builds on the 2012 W@DIS information system for the hydrogen sulfide 
molecule <cit.>. 

As to the structure of this paper, 
the next section provides the theory underlying the present study. 
Section <ref> presents and discusses the experimental sources used, with results given in Section <ref>. 
Section <ref> discusses these results and compares the empirical rovibrational energies 
presented in this work with corresponding levels previously determined both by 
experiment and theory. 
Finally, Section <ref> provides our conclusions. 
All transition data and energy levels resulting from this work are included 
as supplementary data files.






§ THEORY




 §.§ 

The  procedure <cit.> is  based on the theory of
spectroscopic networks <cit.>, 
with the energy levels represented as nodes and the transitions between them as edges. 
The related   code can be used to critically evaluate and validate 
experimentally-determined transition wavenumbers and uncertainties collected 
from the literature, inverting the wavenumber information to obtain accurate 
empirical energy levels with an associated uncertainty. 
 has been successfully used to evaluate the energy levels for molecules 
such as ^12C_2 <cit.>, ^48Ti^16O <cit.>, 
water vapour <cit.>, 
H_3^+ <cit.>, H_2D^+ and D_2H^+ <cit.>, 
^12C_2H_2 <cit.>, ^14NH_3 <cit.>, and ^12C_2H_2^16O <cit.>. 
 requires each measured transition to have an associated uncertainty and 
for each energy level considered to possess a unique set of quantum numbers. 






 §.§ Quantum number labelling



The seven quantum numbers that were used for labelling the upper and lower rovibrational states of  are the same as those used in a previous  investigation to classify water <cit.>.

These quantum numbers are summarised in Table <ref>. Normal-mode labelling is used for the vibrations, where ν_1, ν_2 and ν_3 stand for the symmetric stretch, bend, and antisymmetric stretch vibrations, respectively.
Standard asymmetric-top quantum numbers are used for the rotations, where J, K_a, and K_c are the three quantum numbers associated with rotational angular momentum, J, and the two projections along the A and C axes.

We also provide, as part of the label, the nuclear spin state (ortho or para), which is deduced by whether (v_3+K_a+K_c) is odd (ortho) or even (para) <cit.>. Hyperfine coupling associated with nuclear spins has been neglected.




When local-mode notation was used by an experimental source considered in this work, the quantum numbers were transformed to the
normal-mode notation (v_1v_2v_3) to describe a vibrational state.
Note that some of the data sources considered in this study use J and τ=K_a-K_c instead of J, K_a, and K_c <cit.>, 

where τ runs from -J, -J+1, ..., J-1, +J, with energy increasing from τ=-J. 

The +/- parity of an asymmetric top molecule such as  is defined by (-1)^K_c <cit.>.  belongs to the C_2v(M) MS group <cit.>, which contains irreducible representations A_1, A_2, B_1, and B_2, as given in Table <ref>. 











































 §.§ Selection rules


The rigorous selection rules governing rotation-vibration transitions for a
molecule of the C_2v(M) MS group are given by:

    Δ J =0, ± 1, 
    
    J'+J”  0, 
    
    - ↔ +



The ortho states of  have the nuclear spin statistical 
weight g_ ns=3, while for the para states g_ ns=1, 


thus, ortho transitions have three times the intensity of para transitions.
This is sometimes referred to as intensity alternation. 
It is assumed that ortho and para states do not interconvert. 
Such transitions are very weakly allowed <cit.> but have yet to be observed for .






§ EXPERIMENTAL SOURCES



A large number of experimentally determined transition wavenumbers can be found 
in the literature for the main isotopologue of hydrogen sulfide, H_2^32S.  
We have attempted to conduct a rigorous and comprehensive search 
for all useable spectroscopic data. 
Fortunately, much of the data up to 2012 was previously collated 
as part of the 2012 W@DIS information system for hydrogen sulfide <cit.>, 
in which some of the authors of this paper were involved. 
These data were converted to  format for this work and analysed alongside 
data from newly collected sources. 
This requires the transition wavenumber (in ) and the associated uncertainty, 
along with quantum number assignments for both the upper and lower energy states, 
and a unique reference label for each transition. 
This reference indicates the data source

the transition originates from. 
The data source tag is based on the notation employed by an IUPAC Task Group 
on water spectroscopy <cit.>. 
An extract of the input file in the required format is given in Table <ref>; 
the full file can be found in the supplementary data for this work. 

33 sources of experimental data were used in the final data set. The data from more recent papers are generally provided in digital format, but some of the older papers had to be processed through digitalisation software, or even manually entered in the worst 
cases. After digitalisation the data were converted to  format, as described above.







Table <ref> gives a summary of all the data sources used in this work, 
along with the energy range, number of transitions (assigned (A) and verified (V)), and comments, which are detailed in Section <ref>.  






Table <ref> lists those data sources which were considered but not used, 
with comments on the reasons for their exclusion from the analysis. 
The IUPAC reference tag given in these tables matches those used in the unique labels 
in the  input files, given in the supplementary data and illustrated 
in Table <ref>. 

As transitions have never been observed between ortho and para 
states of , they form two separate principal components (PCs) of 
the experimental spectroscopic network.

All input and output files supplied in the supplementary data to this work are 
split into either ortho or para. 




llcccl
	Data sources used in this study with frequency range, numbers of transitions (A/V for assigned/verified), and comments, which are detailed in Section <ref>. As far as we are aware all experiments were conducted at room temperature.
		 

	Tag    	Ref.	   	Range (cm^-1)	   	A/V      Comments 

	72HeCoLu 	   	 <cit.> 	   	 1.17–25.55 	   	 37/35 	 	   	  (4a)  
   
95BeYaWiPo 	   	 <cit.> 	   	 4.39–85.41 	   	 112/84 	  	   	  (4b) 
     
68CuKeGa 	   	 <cit.> 	   	 5.63–14.15 	   	 6/6 	   	   	   
    
71Huiszoon 	   	 <cit.> 	   	 5.63–7.23 	   	 2/2 	   	   	   
    
14CaPu 	   	 <cit.> 	   	 7.23–53.17 	   	 70/70 	   	   	   
   
85BuFeMeSh 	   	 <cit.> 	   	 10.02–20.9 	   	 6/6 	  	   	   
     
94YaKl 	   	 <cit.> 	   	 33.13–259.76 	   	 366/366 	  	   	   
    
13CaPu 	   	 <cit.> 	   	 33.97–37.45 	   	 4/4 	 	   	    
   
13AzYuTeMa 	   	 <cit.> 	   	 45.25–359.79 	   	 1158/1139 	  	   	  (4c) 
   
83FlCaJo 	   	 <cit.> 	   	 50.77–307.51 	   	 426/387 	  	   	  (4d) 
    
18UlBeGr 	   	 <cit.> 	   	 729.78–1735.41 	   	 2267/2267 		   	   
            
82LaEdGiBo 	   	 <cit.> 	   	 1003.46–1495.28 	   	 397/396 	   	   	 (4e)  
    
83Strow 	   	 <cit.> 	   	 1082.03–1257.07 	   	 123/123 	  	   	   
    
96UlMaKoAl 	   	 <cit.> 	   	 1178.05–1359.78 	   	 41/41 	  	   	   
     
98BrCrCrNa 	   	 <cit.> 	   	 2141.30–4249.85 	   	 7473/7473 	  	   	   
     
18Horneman 	   	 <cit.> 	   	 2180.35–4220.46 	   	4460/4460		   	   
     
84LeFlCaJo 	   	 <cit.> 	   	 2180.36–2945.81 	   	 2113/2111 	 	   	  (4f) 
     
81GiEd 	   	 <cit.> 	   	 2192.48–2823.11 	   	 715/704 	   	  	  (4g) 
    
96UlOnKoAl 	   	 <cit.> 	   	 3614.70–3887.66 	   	 106/106 	 	   	   
     
05UlLiBeGr 	   	 <cit.> 	   	 4000.59–6653.79 	   	2347/2347	   	   	   
   
97BrCrCrNa 	   	 <cit.> 	   	 4500.88–5595.01 	   	 5221/5219 	 	   	(4h)   
 
18Liu 	   	 <cit.> 	   	 4514.79–5555.58 	   	3337/3335		 	   	(4i) 

04BrNaPoSi_c 	   	 <cit.> 	   	 5688.27–6676.71 	   	3178/3178	 	   	 
 
04BrNaPoSi_a 	   	 <cit.> 	   	 7169.19–7898.97 	   	 2878/2876   	   	(4j)   

04UlLiBeGr_b 	   	 <cit.> 	   	 7226.81–7994.09 	   	1855/1855 	   	  
   
04UlLiBeGr_a 	   	 <cit.> 	   	 8405.91–8905.28 	   	 589/589  	   	   
    
04BrNaPoSi_b 	   	 <cit.> 	   	 8412.73–8906.11 	   	1179/1175  	   	 (4k)  

03DiNaHuZh 	   	 <cit.> 	   	 9541.01–10000.71 	   	 1736/1728 		   	  (4l) 
  
01NaCa_a 	   	 <cit.> 	   	 10787.33–11297.99 	   	 1105/1097 	 	   	 (4m)  
    
94GrRaStDe 	   	 <cit.> 	   	 11948.91–12246.28 	   	 227/145 	 	   	   (4n) 
    
97VaBiCaFl 	   	 <cit.> 	   	 12324.55–12670.68 	   	 399/387 	  	   	 (4o)  
     
99CaFl 	   	 <cit.> 	   	 13060.51–13357.14 	   	 219/206 	  	   	  (4p) 
   
01NaCa_b 	   	 <cit.> 	   	 16186.25–16436.57 	   	 173/154 	  	   	  (4q) 
    
	Total          1.17–16436.57     44 325/44 071                 

	







lll
	Data sources considered but not used in this work.
	 

	Tag	   	Ref.	   	Comments	

	02CoRoTy	   	<cit.>	    Data taken from other sources	

	94WaKuSu	   	<cit.>	    Data taken from other sources	

	96SuMeKr	   	<cit.>	    Data taken from other sources	

	97SuMeKr	   	<cit.>	    Data taken from other sources	

	97Sumpf	   	<cit.>	    Data taken from other sources	

	98PiPoCoDe	   	<cit.>	     Data from http://spec.jpl.nasa.gov. Data does not appear to be experimental.

	73HeDeKi	   	<cit.>	    Data taken from other sources, <cit.> 

	02KiSuKrTi	   	<cit.>	    Data appears to be taken from the 1996 edition of HITRAN <cit.>	

	06Polovtseva	   	N/A	   	Thesis, no citation. Referenced in <cit.>	

	87LeFlCaAr	   	<cit.>	   	Energy levels	

	13Azzam	   	<cit.>	    All results are given in 13AzYuTeMa <cit.>

	94KoJe	   	<cit.>	   	Energy levels 

	95FlGrRa	   	<cit.>	   	Energy levels 

	85LaEdGiBo        <cit.>     Calculated values, compared to experimental values from 83FlCaJo <cit.>

	94ByNaSmSi        <cit.>     Energy Levels 

	01TyTaSc      <cit.>     Vibrational energy Levels 

	69MiLeHa     <cit.>     Could not be validated with the other sources to a reasonable accuracy (see Section <ref>) 
    
	56AlPl     <cit.>     Could not be validated with the other sources to a reasonable accuracy (see Section <ref>) 
   
	69SnEd     <cit.>     Could not be validated with the other sources to a reasonable accuracy (see Section <ref>) 
  
	







 §.§ Comments on the experimental sources of Table <ref>


(4a) 72HeCoLu <cit.> contains 2 lines which have been cited as taken from other experimental sources, for which the original data are already in our dataset. 
These duplicates were removed. 

(4b) 95BeYaWiPo <cit.> contains 28 lines which have been cited as from other experimental sources, for which the original data are already in our dataset. These duplicates were removed. 

(4c) 13AzYuTeMa <cit.> gives data for rotational lines recorded 
at room temperature. 
The equipment used provides spectra with very high sensitivity and this 
enabled transitions between highly rotationally excited states to be recorded, 
even at room temperature. 
These high rotational excitations may not be so accurately 
assigned as those of lower energy, as there are no data from other sources in the same region to confirm these measurements. 
The supplementary data from the original paper does not contain the original experimental
transitions; this was provided by the corresponding author. 
There were 19 lines which could not be validated against other data and 
so were removed from our dataset (see Section <ref>).

(4d) 83FlCaJo <cit.> contains 39 lines which have been cited as from other sources which are already present in our dataset. 
The duplicates were removed. 

(4e) 82LaEdGiBo <cit.> contains one line which could not be validated and so has been removed from our dataset.

(4f) 84LeFlCaJo <cit.> contains 2 lines which could not be 
validated against other more recent data and were removed from our dataset. 
All data from this source were recalibrated; 
the calibration factor employed was 0.999 999 746 below 2450 and 1.000 000 0714 above 2450 . 

(4g) 81GiEd <cit.> contains 11 lines which could not be validated against
more recent data and thus were removed from our dataset. 

(4h) 97BrCrCrNa <cit.> contains 2 lines with no corresponding energy in the AYT2 linelist (see Section <ref>) and so were removed from our dataset.   
 
(4i) 18Liu <cit.> contains 2 lines with no corresponding energy in the AYT2 linelist and so were removed from our dataset.   
 
(4j) 04BrNaPoSi_a <cit.> contains 2 lines with no corresponding energy in the AYT2 linelist and so were removed from our dataset.   
 
(4k) 04BrNaPoSi_b <cit.> contains 4 lines which could not be validated and were removed from our dataset.

(4l) 03DiNaHuZh <cit.> contains one blended line which has been 
removed from our dataset. 
A further 7 lines were found to include a level 

with no corresponding energy 
in the AYT2 linelist and so were removed from our dataset. 

(4m) 01NaCa_a <cit.> contains 
8 transitions 


which were found to have no corresponding levels in the AYT2 linelist 
and so were removed from our dataset. 



(4n) 94GrRaStDe <cit.> tentatively assigned the vibrational band 
in their data as (v_1,v_2,v_3)=(2,2,2); 
however, in 95FlGrRaSt <cit.>, a paper published later with the same authors, 
the revised assignment is (v_1,v_2,v_3)=(3,0,2). 
We adopt the latter vibrational label in our dataset. 
No other data sources probe this vibrational band. 
The frequency is only given to 3 decimal places, so the uncertainty was altered to match. 
The original dataset has 82 transitions either labelled with an asterisk to indicate lines 
from the H_2^34S isotopologue, or labelled with a dagger to indicate lines 
which have been perturbed due to those from H_2^34S <cit.>. 
We have commented these out by adding a minus sign to the wavenumber

and added the label _pt to the end.

(4o) 97VaBiCaFl <cit.> contains 4 lines 
which could not be validated and so were removed from our dataset. 
A further 8 lines were found to contain a level 

with no corresponding energy in the 
AYT2 linelist and so were removed from our dataset.
 
(4p) The assignment for 99CaFl_185_na_ct from 99CaFl <cit.> 
leads to different spin states (ortho/para) for the upper and lower state,
which is forbidden. 
We have removed this transition from our dataset. 
5 other lines could not be validated and so were removed from our dataset. 
7 lines were found to have no variational counterparts in the AYT2 linelist and so were removed. 

(4q) 01NaCa_b	<cit.> contains one line which could not be validated 
and so was removed from our dataset. 

A further 18 lines were found to contain levels with no corresponding energies in the AYT2 linelist and so were removed from our dataset. 





 §.§ General comments


All transitions which were considered but not processed in the final dataset have a minus sign in front of the 
transition wavenumber (indicating that  will ignore it) in the input files provided as supplementary material and are labelled with a comment at the end of the reference (see the comments of Section <ref>). 
We used a cut-off of 0.035  as the largest acceptable uncertainty and removed any transitions with an uncertainty greater than this this, with a note in  Section <ref> to indicate how many transitions from a particular data source could not be validated to within this accuracy. 

The publications 97BrCrCrNa <cit.>, 04BrNaPoSi_c <cit.>, 04BrNaPoSi_a <cit.>, and 04BrNaPoSi_b <cit.> include just a short description of the assignment and modelling of the Fourier Rransform (FT) spectra between 4500 and 8900. Detailed information on the theoretical treatment of these spectra will be published
separately in due course. Some of these transitions, between 4400–8000 , were previously reported in
the HITRAN-2012 <cit.> and HITRAN-2016 <cit.> databases, while the second decade region, 8400–8900, is presented
for the first time. It is also worth mentioning that the  dataset includes a considerable number of transitions which include new, unpublished energy levels. 
As only the upper energy levels of the transitions were reported in 05UlLiBeGr <cit.>, 04UlLiBeGr_b <cit.>, and 04UlLiBeGr_a <cit.>, the corresponding transition wavenumbers were recovered from A.-W. Liu (18Liu <cit.>) using the energy levels obtained from 97BrCrCrNa <cit.>, 04BrNaPoSi_c <cit.>, 04BrNaPoSi_a <cit.>, and 04BrNaPoSi_b <cit.>. For this reason, the transitions in the  dataset which are referred to as from 05UlLiBeGr <cit.>, 04UlLiBeGr_b <cit.>, and 04UlLiBeGr_a <cit.> contain a larger number
of assignments than reported in the original publications. The data of the first hexad region between 4500–5600 were totally assigned based
on the energy levels reported in 97BrCrCrNa <cit.>.
The highly accurate (an accuracy of 0.0005) set of  transitions recorded using a FT spectrometer between
2200–4250 was provided by V.-M. Horneman (18Horneman <cit.>) and assigned using the energy levels reported in 98BrCrCrNa <cit.>.




 §.§ Sources from the HITRAN database


 has been included in the HITRAN 
database <cit.>
since 1991 <cit.>. 
The following are sources for the line positions and energy levels of the  data 
in the HITRAN database, up to the 2016 release: 96UlMaKoAl <cit.>, 83FlCaJo <cit.>, 98BrCrCrNa <cit.>, 13AzYuTeMa <cit.>, 94YaKl <cit.>, 95BeYaWiPo <cit.>, 05UlLiBeGr <cit.>, 04UlLiBeGr <cit.>, 03DiNaHuZh <cit.>, 01NaCa_b <cit.>, 84LeFlCaJo <cit.>, 82LaEdGiBo <cit.>, 85LaEdGiBo <cit.>, 94ByNaSmSi <cit.>. 
The variational ExoMol AYT2 linelist <cit.> was used to assign transitions 
in the ν_2 excited vibrational state in the 2012 release <cit.>. 





§ RESULTS



The  website (<http://kkrk.chem.elte.hu/marvelonline>) has a version of  which can be run online. 
The variable NQN (number of quantum numbers) is 7 in the case of hydrogen sulfide, as illustrated in Table <ref> which 
shows an extract of the ortho input file to . 



 automatically assigns the lowest energy state in a particular component of the spectroscopic network to 0. The ground rovibrational state is included in the para set of energy levels, however there needs to be a “magic number”, corresponding to the energy of the lowest ortho state, which is added to all the    ortho-symmetry energies. Here, this was taken as the ground vibrational state (v_1v_2v_3)=(000) 
with the lowest rotational energy (see Section <ref>), J=1, K_a=0, K_c=1, of 94KoJe <cit.>, 
who determined the value of 13.74631 . The output for the ortho energies in the supplementary data, and the extract in  Table <ref>, all have this magic number added for the principal spectroscopic network. 

There are a small number (4 para) of energy levels which are not joined to either of the principal components. If more experimental transitions became available in the future it would be possible to link these to the principal network. 







We collated and considered a total of 44 325 transitions from 33
experimental sources (25 474 ortho and 18 851 para). 
Of those 254 were found to be inconsistent (could not be validated to within 0.035 ) with others and so removed 
from the final data set, leaving a total of 44 071 transitions 
used as input into  (25 293 ortho and 18 778 para). 





























Figure <ref> gives a visual representation of NumTrans which link the states of the  ortho- network, against corresponding upper state energies.



Those upper states which are dark blue in colour, linked by only 1 transition, should be considered less reliable than those in red, which are supported by hundreds of different transitions, up to 404. The values of NumTrans for each level are given in the energy level files in the supplementary data. 























































§ COMPARISON TO OTHER DERIVED ENERGY LEVELS



We used a number of sources to compare energy level values 
against those determined in this work. 
94KoJe <cit.> contains a list of energy levels, which are taken 
or calculated from other 
sources <cit.>; see Table <ref> for a breakdown by vibrational band. 
AYT2 <cit.> is a theoretical variational linelist for  calculated 
as part of the ExoMol project <cit.>, a database of theoretical 
linelists for molecules of astrophysical importance. 
AYT2 is appropriate up
to temperatures of around 2000 K and designed for use in characterising 
the atmospheres of cool stars and exoplanets. 
The states file, available from www.exomol.com, gives the calculated energy levels, 
which can be compared against our empirical energy levels. 
For more information on the format of the ExoMol data files, 
please refer to <cit.>. 
95FlGrRaSt <cit.> contains rovibrational energy levels from 
the (v_1,v_2,v_3)=(2,0,3) and (3,0,2) vibrational bands. 
The authors outline an experimental procedure used to deduce these levels 
but they do not provide the experimental transition data so we could not include 
the data from this source in our dataset. 
87LeFlCaAr <cit.> has a table of rovibrational energy levels for 
the (v_1,v_2,v_3)=(2,1,0), (1,1,1) and (0,1,2) vibrational bands. 
96UlMaKoAl <cit.> contains rovibrational energy levels from 
the (v_1,v_2,v_3)=(0,1,0) vibrational band.


llll
		Original sources of energy level data from 94KoJe <cit.>. 

		Tag     Ref.	    Vibrational bands    	Comments	

		83FlCaJo     <cit.>     (0,0,0)     Experimental source used in this work

		85LaEdGiBo     <cit.>     (0,1,0)     Calculated values, compared to experimental values from 83FlCaJo <cit.> 

		84LeFlCaJo     <cit.>     (0,2,0) (1,0,0) (0,0,1)     Experimental source used in this work

		69SnEd     <cit.>      (1,1,0) (0,1,1)     Experimental source used in this work

		56AlPl     <cit.>      [t](0,2,1) (2,0,0) (1,0,1) 
 (3,0,0) (2,0,1) (1,0,2) 
 (0,0,3) (2,1,1) (3,0,1) 
 (2,0,2) (1,0,3) (3,1,1)          Data source not considered reliable. All J=0 levels only.

		87LeFlCaAr     <cit.>      (2,1,0) (1,1,1)     [t]94KoJe <cit.> only contains levels from this source up to J=5.
See text and Figure <ref> for a full comparison.

		


We compared the pure rotational levels determined in this work both against those 
given in 94KoJe <cit.> and the calculated values from the AYT2 
linelist <cit.>, up to J=5. 
These data are given in Table <ref>. 
The pure rotational levels are closer to those from the experimentally determined 
sources of 94KoJe than to those of variationally calculated AYT2, as would be expected. 

lcccrrrrrrr
		Comparison of pure rotational levels from this work with those of 
		94KoJe <cit.> (see Table <ref>) and AYT2 <cit.> up to J=5. 
		NumTrans gives the number of transitions linking a particular state. 
		All energies and uncertainties are in . 
		The uncertainty refers to this work.
			 

		J  K_a  K_c     State     Sym     NumTrans     Uncertainty     This work     94KoJe     Difference     AYT2     Difference 

0 0 0       para       A_1      58     0.000098     0     0     0     0      0 

1 0 1       ortho       B_1      170     0.000001     13.746310     13.74631     0.00000     13.746340      0.000030 

1 1 1       para       A_2      157     0.000002     15.090119     15.09011     -0.00001     15.090151      0.000032 

1 1 0       ortho       B_2      147     0.000001     19.375630     19.37563     0.00000     19.375563      -0.000067 
     
2 0 2       para       A_1      223     0.000001     38.016095     38.01607     -0.00003     38.016264      0.000169 

2 1 2       ortho       B_2      258     0.000002     38.297765     38.29775     -0.00001     38.297961      0.000196 
     
2 1 1       para       A_2      211     0.000001     51.140188     51.14016     -0.00003     51.140060      -0.000128 
   
2 2 1       ortho       B_1      253     0.000002     55.161605     55.16158     -0.00003     55.161460      -0.000145 
  
2 2 0       para       A_1      181     0.000001     58.368870     58.36884     -0.00003     58.368621      -0.000249 
   
3 0 3       ortho       B_1      265     0.000002     71.424221     71.42426     0.00004     71.424760      0.000539 

3 1 3       para       A_2      213     0.000001     71.465192     71.46515     -0.00004     71.465653      0.000461 

3 1 2       ortho       B_2      329     0.000001     95.056313     95.05630     -0.00001     95.056267      -0.000046 
  
3 2 2       para       A_1      272     0.000001     96.392529     96.39246     -0.00007     96.392428      -0.000101 
   
3 2 1       ortho       B_1      313     0.000001     107.368216     107.36820     -0.00002     107.367927      -0.000289 

4 0 4       para       A_1      205     0.000001     114.172246     114.17217     -0.00008     114.173085      0.000839 
   
4 1 4       ortho       B_2      270     0.000001     114.177601     114.17758     -0.00002     114.178495      0.000894 
  
3 3 1       para       A_2      250     0.000002     115.340656     115.34059     -0.00007     115.340038      -0.000618 

3 3 0       ortho       B_2      247     0.000001     117.392003     117.39199     -0.00001     117.391407      -0.000596 

4 1 3       para       A_2      306     0.000001     148.140653     148.14058     -0.00007     148.140740      0.000087 
   
4 2 3       ortho       B_1      362     0.000001     148.418328     148.41831     -0.00002     148.418470      0.000142 
  
5 0 5       ortho       B_1      264     0.000045     166.343488     166.34345     -0.00004     166.344887      0.001399 
  
5 1 5       para       A_2      196     0.000077     166.344005     166.34417     0.00016     166.345606      0.001601 
      
4 2 2       para       A_1      308     0.000001     170.335799     170.33574     -0.00006     170.335471      -0.000328 

4 3 2       ortho       B_2      383     0.000002     173.967266     173.96726     -0.00001     173.966794      -0.000472 

4 3 1       para       A_2      261     0.000001     182.648548     182.64849     -0.00006     182.647978      -0.000570 

4 4 1       ortho       B_1      290     0.000002     195.661414     195.66142     0.00001     195.659965      -0.001449 
  
4 4 0       para       A_1      219     0.000003     196.802189     196.80212     -0.00007     196.800713      -0.001476 

5 1 4       ortho       B_2      356     0.000037     210.217262     210.21727     0.00001     210.217731      0.000469 
     
5 2 4       para       A_1      270     0.000001     210.264821     210.26477     -0.00005     210.265229      0.000408 
   
5 2 3       ortho       B_1      387     0.000001     243.343434     243.34344     0.00001     243.343211      -0.000223 
  
5 3 3       para       A_2      333     0.000001     244.392517     244.39250     -0.00002     244.392149      -0.000368 

5 3 2       ortho       B_2      363     0.000001     263.738931     263.73895     0.00002     263.738560      -0.000371 
  
5 4 2       para       A_1      298     0.000001     271.106067     271.10604     -0.00003     271.104809      -0.001258 

5 4 1       ortho       B_1      316     0.000002     277.337562     277.33758     0.00002     277.336633      -0.000929 
  
5 5 1       para       A_2      229     0.000002     296.104442     296.10442     -0.00002     296.101282      -0.003160 

5 5 0       ortho       B_2      278     0.000001     296.677577     296.67760     0.00002     296.674560      -0.003017 
  
		




The pure vibrational levels from this work are also compared with those from 
94KoJe <cit.> and AYT2 <cit.>, see Table <ref>. 
It should be noted here that there are some differences in labelling between 
these data sources and those used in this work. 
For example, the pure vibrational levels of 94KoJe <cit.> which 
are labelled (v_1,v_2,v_3)=(2,0,2), (1,0,2) and (3,0,0), match the normal 
mode labelling of (4,0,0), (3,0,0) and (1,0,2), respectively, 
according to the labelling of 01TyTaSc <cit.> and the experimental sources 
used in this work.



cllrrrlrrr
		Comparison of pure vibrational levels (J=0) from this work with those 
		of 94KoJe <cit.> (see Table <ref>) and AYT2 <cit.>. 
		NT stands for NumTrans, the number of transitions linking a particular state. 
		All energies and uncertainties are in . 
		The uncertainty refers to this work. 
		State is from this work and Sym is the corresponding symmetry label as used 
		in AYT2 <cit.> (see Section <ref>). 
			 

		ν_1  ν_2  ν_3     State     Sym     NT     Uncertainty     This work     94KoJe     Difference     AYT2     Difference 

0 0 0       para       A_1      58     0.000098     0                   0      0 

0 1 0       para       A_1      5     0.000477     1182.576991     1182.5742      -0.0028      1182.569618      -0.007373 

0 2 0       para       A_1      4     0.000629     2353.964679     2353.9655     0.0008     2353.907317      -0.057362 
    
1 0 0       para       A_1      3     0.000663     2614.407743     2614.4074      -0.0003      2614.394829      -0.012914 

0 0 1       ortho       B_2      2     0.000669     2628.454821     2628.4552     0.0004     2628.463320      0.008499 

0 3 0       para       A_1      3     0.000621     3513.789974                   3513.705072      -0.084902 

1 1 0       para       A_1      3     0.000390     3779.166566     3779.1710     0.0044     3779.189348      0.022782 
       
0 1 1       ortho       B_2      2     0.000625     3789.269211     3789.2720     0.0028     3789.269878      0.000667 

0 4 0       para       A_1      1     0.001000     4661.672219                   4661.605794      -0.066425 

1 2 0       para       A_1      2     0.000707     4932.699369                   4932.688937      -0.010432 

0 2 1       ortho       B_2      2     0.000707     4939.104010     4939.2300     0.1260     4939.129851      0.025841 

2 0 0       para       A_1      2     0.000707     5144.986319     5145.1200     0.1337     5145.031868      0.045549 
       
1 0 1       ortho       B_2      2     0.000707     5147.220560     5147.3600     0.1394     5147.166622      -0.053938 
   
0 0 2       para       A_1      2     0.000707     5243.101919                   5243.158956      0.057037 

1 3 0       para       A_1      2     0.000928     6074.581067                   6074.566059      -0.015008 

0 3 1       ortho       B_2      2     0.000707     6077.594560                   6077.626636      0.032076 
 
2 1 0       para       A_1      2     0.000707     6288.146119     6288.1428      -0.0033      6288.134723      -0.011396 

1 1 1       ortho       B_2      3     0.000637     6289.172875     6289.1739     0.0010     6289.128284      -0.044591 
   
1 2 1       ortho       B_2      4     0.000632     7420.092707                   7420.077786      -0.014921 

1 0 2       para       A_1      1     0.002000     7576.381719     7576.3000      -0.0817      7576.413281      0.031562 
  
2 0 1       ortho       B_2      2     0.001414     7576.544710     7576.3000      -0.2447      7576.596211      0.051501 
 
3 0 0       para       A_1      2     0.001414     7752.263219     7751.9000      -0.3632      7752.343205      0.079986 
  
0 0 3       ortho       B_2      2     0.001414     7779.321260     7779.2000      -0.1213      7779.352004      0.030744 
 
1 3 1       ortho       B_2      1     0.002000     8539.561310                   8539.565999      0.004689 
 
1 1 2       para       A_1      2     0.001414     8697.141469                   8697.133905      -0.007564 

2 1 1       ortho       B_2      2     0.001481     8697.154984     8697.3000     0.1450     8697.179341      0.024357 

1 4 1       ortho       B_2      1     0.005000     9647.167310                   9647.098855      -0.068455 

2 2 1       ortho       B_2      1     0.005000     9806.667310                   9806.712978      0.045668 
 
1 2 2       para       A_1      1     0.005000     9806.733119                   9806.748170      0.015051 

2 0 2       para       B_2      1     0.005000     9911.023119     9911.0500     0.0269     9911.102285      0.079166 
       
3 0 1       ortho       A_1      1     0.005000     9911.023310     9911.0500     0.0267     9911.112478      0.089168 

3 1 1       ortho       A_1      1     0.005000     11008.695310     11008.7800     0.0847     11008.774494      0.079184 
   
3 0 2       para       A_1      1     0.001000     12149.460119                   12149.552318      0.092199 

1 0 4       para       A_1      1     0.015000     12524.637119                   12524.834491      0.197372 

4 0 1       ortho       B_2      1     0.015000     12525.214310                   12525.346292      0.131982 

3 1 2       para       B_2      1     0.015000     13222.762119                   13222.790827      0.028708 

2 1 3       ortho       A_1      1     0.015000     13222.772310                   13222.798559      0.026249 

		




We compared all the rovibrational energy levels given in 94KoJe <cit.>, 
95FlGrRaSt <cit.>, 96UlMaKoAl <cit.>, 
and 87LeFlCaAr <cit.> against our set of  energy levels, 
taking the aforementioned labelling differences into account for
 94KoJe <cit.> (see Table <ref>). 
These comparisons are illustrated in Figure <ref>. 
Most levels are in good agreement, with only a few levels with differences between 0.1–0.4 . These levels with the largest differences are from 87LeFlCaAr <cit.> and 56AlPl <cit.>. 
All the levels which are compared to those of 87LeFlCaAr <cit.> have several transitions which link them to other energy levels in our  dataset, and originate from different sources, which increases their reliability. This indicates that the lack of accuracy for these particular energies originates from 87LeFlCaAr <cit.> and not the  dataset. The transition data from 56AlPl <cit.> was considered for use in the current study, but the data could not be validated with that from newer sources (see Table <ref>), and so the energy levels are also assumed to be unreliable. 















As mentioned above, AYT2 <cit.> is a theoretical variational linelist 
for  calculated as part of the ExoMol project <cit.>. 
Highly accurate experimental energy levels provide essential input for testing 
and improving theoretically calculated line positions such as those within AYT2. 
The ExoMol data format convention is to have a `states' and a `trans' file. 
The states file gives the calculated rovibrational energy levels, 
which can be compared against our empirical energy levels, 
and the trans file contains the Einstein–A coefficients for transitions between 
these states <cit.>. 
This format allows calculated linelists to be retrospectively updated using 
more reliable experimental energy levels in order to improve their accuracy, 
see <cit.> for an example.  

To compare our energy levels with those from the 
AYT2 <cit.> linelist, a comparable states file was made; we labelled our states with the same A_1, A_2, B_1, B_2 symmetry 
labels which are given in the AYT2 states file, see Table <ref>. 
We then matched all states with this same symmetry, 
v_2, v_1+v_3, and J, and searched for the closest value within 
these given parameters. 
Figure <ref> gives the result of this comparison. 



Work is underway to update the existing ExoMol AYT2 states file and linelist 
based on the energy levels obtained in this work, 
using only those levels based on the transitions we are most sure about. 
Care should be taken in general when using  energy levels 
with a low value of NumTrans

(see Figure <ref>). 
This, along with the uncertainty, gives an indication of the reliability of a 
particular energy level. 










§ CONCLUSIONS



A total of 44 325 measured experimental rovibrational transitions of from 31 publications have been considered in this work. 
From this set, 3969 ortho- and 3467 para-H_2^32S energy levels
have been determined using the Measured Active Rotational-Vibrational Energy
Levels () technique.
These results have been carefully compared with alternative compilations of energy levels.

A variational high-temperature linelist for  has been computed as
part of the ExoMol project, AYT2 <cit.>. 
Our new  energy levels will be used
to improve the accuracy of this theoretical linelist.

A significant part of this work was performed by  pupils from Highams Park
School in London, as part of a project known as ORBYTS (Original Research By
Young Twinkle Students) <cit.>. 
The  studies of ^12C_2H_2 <cit.> and ^48Ti^16O <cit.> 
were also performed as part of the ORBYTS project
and further studies on other key molecules will be published in due course,
involving high-school students from the UK, Australia, and Hungary.
A paper discussing our experiences of performing original research in
collaboration with school children can be found elsewhere <cit.>.




§ SUPPLEMENTARY DATA


Please refer to the web version of this work for access to the supplementary
data. There are four files provided, as listed in Table <ref>. The column definitions are given in Table <ref> for files 1 and 2 ( input files) and Table <ref> for files 3 and 4 ( output files).












§ ACKNOWLEDGEMENTS


We would like to thank Jon Barker, Fawad Sheikh, and Sheila Smith from Highams Park School 
for continued support and enthusiasm, along with Highams Park students Jack Franklin 
and Samuel Sheppard for their assistance in this project. 
We are grateful to Laura McKemmish for helpful discussions and advice, 
Clara Sousa-Silva for setting up the ORBYTS education project, 
and to Anita Heward, Will Dunn, Marcell Tessenyi, and the rest of the Twinkle team 
for their ongoing support. We give thanks to Shuiming Hu for contributions to the data used in this work. 
This work was supported by STFC Project ST/J002925, the RSF (grant 17-12-01204), 
the ERC under Advanced Investigator Project 267219, NKFIH (grant K119658), 
and the COST action MOLIM: Molecules in Motion (CM1405).





10
	url<#>1urlprefixURL href#1#2#2 #1#190SaAlWi.H2S
	F. Salama, L. Allamandola, F. Witteborn, D. Cruikshank, S. Sandford,
	J. Bregman, The 2.5-5.0 μm spectra of Io: Evidence for H_2S and
	H_2O frozen in SO_2, Icarus 83 (1990) 66 – 82.
	http://dx.doi.org/10.1016/0019-1035(90)90006-U
	doi:10.1016/0019-1035(90)90006-U.
	
	04ScGrAb.H2S
	D. Schulze-Makuch, D. H. Grinspoon, O. Abbas, L. N. Irwin, M. A. Bullock, A
	sulfur-based survival strategy for putative phototrophic life in the
	Venusian atmosphere, Astrobiology 4 (2004) 11–18.
	http://dx.doi.org/10.1089/153110704773600203
	doi:10.1089/153110704773600203.
	
	jt693
	J. Tennyson, S. N. Yurchenko, Laboratory spectra of hot molecules: data needs
	for hot super-earth exoplanets, Mol. Astrophys. 8 (2017) 1–18.
	http://dx.doi.org/10.1016/j.molap.2017.05.002
	doi:10.1016/j.molap.2017.05.002.
	
	18IrToGa.H2S
	P. G. J. Irwin, D. Toledo, R. Garland, N. A. Teanby, L. N. Fletcher, G. A.
	Orton, B. Bezard, Detection of hydrogen sulfide above the clouds in Uranus's
		atmosphere, Nat. Astron. 2 (2018) 420–427.
	http://dx.doi.org/10.1038/s41550-018-0432-1
	doi:10.1038/s41550-018-0432-1.
	
	97Pace.H2S
	N. R. Pace, A molecular view of microbial diversity and the biosphere, Science
	276 (5313) (1997) 734–740.
	http://dx.doi.org/10.1126/science.276.5313.734
	doi:10.1126/science.276.5313.734.
	
	10KaSaxx
	L. Kaltenegger, D. Sasselov, Detecting planetary geochemical cycles on
	exoplanets: Atmospheric signatures and the case of SO_2, Astrophys. J.
	708 (2010) 1162.
	http://dx.doi.org/10.1088/0004-637X/708/2/1162
	doi:10.1088/0004-637X/708/2/1162.
	
	13King.H2S
	S. B. King, Potential biological chemistry of hydrogen sulfide (H_2S) with
	the nitrogen oxides, Free Radical Biology and Medicine 55 (Supplement C)
	(2013) 1 – 7.
	http://dx.doi.org/10.1016/j.freeradbiomed.2012.11.005
	doi:10.1016/j.freeradbiomed.2012.11.005.
	
	17BaAnIv.H2S
	N. Bazhanov, M. Ansar, T. Ivanciuc, R. P. Garofalo, A. Casola, Hydrogen
	sulfide: A novel player in airway development, pathophysiology of respiratory
	diseases, and antiviral defenses, Am. J. Respiratory Cell Molec. Bio. 57
	(2017) 403–410.
	http://dx.doi.org/10.1165/rcmb.2017-0114TR
	doi:10.1165/rcmb.2017-0114TR.
	
	08CiCuDe.H2S
	L. Ciaffoni, B. L. Cummings, W. Denzer, R. Peverall, S. R. Procter, G. A. D.
	Ritchie, Line strength and collisional broadening studies of hydrogen
	sulphide in the 1.58μm region using diode laser spectroscopy, Appl. Phys.
	B 92 (2008) 627.
	http://dx.doi.org/10.1007/s00340-008-3119-y
	doi:10.1007/s00340-008-3119-y.
	
	72ThKuPe.H2S
	P. Thaddeus, M. L. Kutner, A. A. Penzias, R. W. Wilson, K. B. Jefferts,
	Interstellar hydrogen sulfide, Astron. Astrophys. 176 (1972) L73.
	http://dx.doi.org/10.1086/181023 doi:10.1086/181023.
	
	jt412
	T. Furtenbacher, A. G. Császár, J. Tennyson, MARVEL: measured active
		rotational-vibrational energy levels, J. Mol. Spectrosc. 245 (2007)
	115–125.
	http://dx.doi.org/10.1016/j.jms.2007.07.005
	doi:10.1016/j.jms.2007.07.005.
	
	12FuCsxx.marvel
	T. Furtenbacher, A. G. Császár, The role of intensities in determining
	characteristics of spectroscopic networks, J. Molec. Struct. (THEOCHEM) 1009
	(2012) 123 – 129.
	http://dx.doi.org/10.1016/j.molstruc.2011.10.057
	doi:10.1016/j.molstruc.2011.10.057.
	
	12FuCsa
	T. Furtenbacher, A. G. Császár, MARVEL: measured active
		rotational-vibrational energy levels. II. Algorithmic improvements, J.
	Quant. Spectrosc. Radiat. Transf. 113 (2012) 929–935.
	http://dx.doi.org/10.1016/j.jqsrt.2012.01.005
	doi:10.1016/j.jqsrt.2012.01.005.
	
	12PoLaVo.H2S
	E. R. Polovtseva, N. A. Lavrentiev, S. S. Voronina, O. V. Naumenko, A. Z.
	Fazliev, Information system for molecular spectroscopy. 5. Ro-vibrational
	transitions and energy levels of the hydrogen sulfide molecule, Atmos.
	Oceanic Optics 25 (2012) 157–165.
	http://dx.doi.org/10.1134/S1024856012020133
	doi:10.1134/S1024856012020133.
	
	11CsFuxx.marvel
	A. G. Császár, T. Furtenbacher, Spectroscopic networks, J. Mol.
	Spectrosc. 266 (2011) 99 – 103.
	http://dx.doi.org/10.1016/j.jms.2011.03.031
	doi:10.1016/j.jms.2011.03.031.
	
	16ArPeFu.marvel
	P. Árendás, T. Furtenbacher, A. G. Császár, On spectra of
	spectra, J. Math. Chem. 54 (2016) 806–822.
	http://dx.doi.org/10.1007/s10910-016-0591-1
	doi:10.1007/s10910-016-0591-1.
	
	jt637
	T. Furtenbacher, I. Szabó, A. G. Császár, P. F. Bernath, S. N.
	Yurchenko, J. Tennyson, Experimental energy levels and partition function of
	the ^12C_2 molecule, Astrophys. J. Suppl. 224 (2016) 44.
	http://dx.doi.org/10.3847/0067-0049/224/2/44
	doi:10.3847/0067-0049/224/2/44.
	
	jt672
	L. K. McKemmish, T. Masseron, S. Sheppard, E. Sandeman, Z. Schofield,
	T. Furtenbacher, A. G. Császár, J. Tennyson, C. Sousa-Silva, MARVEL
		analysis of the measured high-resolution spectra of ^48Ti^16O,
	Astrophys. J. Suppl. 228 (2017) 15.
	http://dx.doi.org/10.3847/1538-4365/228/2/15
	doi:10.3847/1538-4365/228/2/15.
	
	jt454
	J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, M. R. Carleer, A. G.
	Császár, R. R. Gamache, J. T. Hodges, A. Jenouvrier, O. V. Naumenko,
	O. L. Polyansky, L. S. Rothman, R. A. Toth, A. C. Vandaele, N. F. Zobov,
	L. Daumont, A. Z. Fazliev, T. Furtenbacher, I. E. Gordon, S. N. Mikhailenko,
	S. V. Shirin, IUPAC critical Evaluation of the Rotational-Vibrational
		Spectra of Water Vapor. Part I. Energy Levels and Transition Wavenumbers for
		H_2^17O and H_2^18O, J. Quant. Spectrosc. Radiat. Transf. 110
	(2009) 573–596.
	http://dx.doi.org/10.1016/j.jqsrt.2009.02.014
	doi:10.1016/j.jqsrt.2009.02.014.
	
	jt482
	J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, M. R. Carleer, A. G.
	Császár, L. Daumont, R. R. Gamache, J. T. Hodges, O. V. Naumenko, O. L.
	Polyansky, L. S. Rothman, R. A. Toth, A. C. Vandaele, N. F. Zobov, A. Z.
	Fazliev, T. Furtenbacher, I. E. Gordon, S. N. Mikhailenko, B. A. Voronin,
	IUPAC critical Evaluation of the Rotational-Vibrational Spectra of Water
		Vapor. Part II. Energy Levels and Transition Wavenumbers for HD^16O,
		HD^17O, and HD^18O, J. Quant. Spectrosc. Radiat. Transf. 111 (2010)
	2160–2184.
	http://dx.doi.org/10.1016/j.jqsrt.2010.06.012
	doi:10.1016/j.jqsrt.2010.06.012.
	
	jt539
	J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, M. R. Carleer, A. G.
	Császár, L. Daumont, R. R. Gamache, J. T. Hodges, O. V. Naumenko, O. L.
	Polyansky, L. S. Rothmam, A. C. Vandaele, N. F. Zobov, A. R. Al Derzi,
	C. Fábri, A. Z. Fazliev, T. Furtenbacher, I. E. Gordon, L. Lodi, I. I.
	Mizus, IUPAC critical evaluation of the rotational-vibrational spectra of
		water vapor. Part III. Energy levels and transition wavenumbers for
		H_2^16O, J. Quant. Spectrosc. Radiat. Transf. 117 (2013) 29–80.
	http://dx.doi.org/10.1016/j.jqsrt.2012.10.002
	doi:10.1016/j.jqsrt.2012.10.002.
	
	jt576
	J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, A. G. Császár,
	L. Daumont, R. R. Gamache, J. T. Hodges, O. V. Naumenko, O. L. Polyansky,
	L. S. Rothmam, A. C. Vandaele, N. F. Zobov, N. Dénes, A. Z. Fazliev,
	T. Furtenbacher, I. E. Gordon, S.-M. Hu, T. Szidarovszky, I. A. Vasilenko,
	IUPAC critical evaluation of the rotational-vibrational spectra of water
		vapor. Part IV. Energy levels and transition wavenumbers for D_2^16O,
		D_2^17O and D_2^18O, J. Quant. Spectrosc. Radiat. Transf. 142
	(2014) 93–108.
	http://dx.doi.org/10.1016/j.jqsrt.2014.03.019
	doi:10.1016/j.jqsrt.2014.03.019.
	
	jtwaterupdate
	T. Furtenbacher, J. Tennyson, O. V. Naumenko, O. L. Polyansky, N. F. Zobov,
	A. G. Császár, The 2018 Update of the IUPAC Database of Water Energy
		Levels, J. Quant. Spectrosc. Radiat. Transf.(In preparation).
	
	13FuSzMa.marvel
	T. Furtenbacher, T. Szidarovszky, E. Mátyus, C. Fábri, A. G.
	Császár, Analysis of the Rotational–Vibrational States of the
		Molecular Ion H_3^+, J. Chem. Theory Comput. 9 (2013) 5471–5478.
	http://dx.doi.org/10.1021/ct4004355
	doi:10.1021/ct4004355.
	
	13FuSzFa.marvel
	T. Furtenbacher, T. Szidarovszky, C. Fábri, A. G. Császár, MARVEL
		analysis of the rotational–vibrational states of the molecular ions
		H_2D^+ and D_2H^+, Phys. Chem. Chem. Phys. 15 (2013) 10181–10193.
	http://dx.doi.org/10.1039/c3cp44610g
	doi:10.1039/c3cp44610g.
	
	jt705
	K. L. Chubb, M. Joseph, J. Franklin, N. Choudhury, T. Furtenbacher, A. G.
	Császár, G. Gaspard, P. Oguoko, A. Kelly, S. N. Yurchenko, J. Tennyson,
	C. Sousa-Silva, MARVEL analysis of the measured high-resolution spectra of
		C_2H_2, J. Quant. Spectrosc. Radiat. Transf. 204 (2018) 42–55.
	http://dx.doi.org/10.1016/j.jqsrt.2017.08.018
	doi:10.1016/j.jqsrt.2017.08.018.
	
	jt608
	A. R. Al Derzi, T. Furtenbacher, S. N. Yurchenko, J. Tennyson, A. G.
	Császár, MARVEL analysis of the measured high-resolution spectra of
		^14NH_3, J. Quant. Spectrosc. Radiat. Transf. 161 (2015) 117–130.
	http://dx.doi.org/10.1016/j.jqsrt.2015.03.034
	doi:10.1016/j.jqsrt.2015.03.034.
	
	jtNH3update
	T. Furtenbacher, P. A. Coles, J. Tennyson, A. G. Császár, Updated MARVEL
		energy levels for ammonia, J. Quant. Spectrosc. Radiat. Transf.To be
		submitted.
	
	11FaMaFu.marvel
	C. Fábri, E. Mátyus, T. Furtenbacher, L. Nemes, B. Mihály,
	T. Zoltáni, A. G. Császár, Variational quantum mechanical and
	active database approaches to the rotational-vibrational spectroscopy of
	ketene, h_2cco, J. Chem. Phys. 135 (2011) 094307.
	
	82HeLixx.C2H2
	M. Herman, J. Lievin, Acetylene- From intensity alternation in spectra to
		ortho and para molecule, J. Chem. Educ. 59 (1982) 17.
	http://dx.doi.org/10.1021/ed059p17
	doi:10.1021/ed059p17.
	
	56AlPl.H2S
	H. C. Allen Jr., E. K. Plyler, Infrared spectrum of hydrogen sulfide, J.
	Chem. Phys. 25 (1956) 1132–1136.
	http://dx.doi.org/10.1063/1.1743164
	doi:10.1063/1.1743164.
	
	98BuJe.method
	P. R. Bunker, P. Jensen, Molecular Symmetry and Spectroscopy, 2nd Edition, NRC
	Research Press, Ottawa, 1998.
	
	jt329
	A. Miani, J. Tennyson, Can ortho-para transitions for water be observed?, J.
	Chem. Phys. 120 (2004) 2732–2739.
	
	72HeCoLu.H2S
	P. Helminger, R. L. Cook, F. C. De Lucia, Microwave spectrum and centrifugal
	distortion effects of H_2S, J. Chem. Phys. 56 (1972) 4581–4584.
	http://dx.doi.org/10.1063/1.1677906
	doi:10.1063/1.1677906.
	
	95BeYaWi.H2S
	S. P. Belov, K. M. T. Yamada, G. Winnewisser, L. Poteau, R. Bocquet,
	J. Demaison, O. Polyansky, M. Y. Tretyakov, Terahertz rotational spectrum of
	H_2S, J. Mol. Spectrosc. 173 (1995) 380–390.
	http://dx.doi.org/10.1006/jmsp.1995.1242
	doi:10.1006/jmsp.1995.1242.
	
	68CuKeGa.H2S
	R. E. Cupp, R. A. Keikpf, J. J. Gallagher, Hyperfine structure in the
	millimeter spectrum of hydrogen sulfide electric spectroscopy on
	asymmetric-top molecules, Phys. Rev. 171 (1968) 60–69.
	http://dx.doi.org/10.1103/PhysRev.171.60
	doi:10.1103/PhysRev.171.60.
	
	71Huiszoon.H2S
	C. Huiszoon, A high resolution spectrometer for the shorter millimeter
	wavelength region, Rev. Sci. Instrum. 42 (1971) 477–481.
	http://dx.doi.org/10.1063/1.1685135
	doi:10.1063/1.1685135.
	
	14CaPu.H2S
	G. Cazzoli, C. Puzzarini, The rotational spectrum of hydrogen sulfide: The
	H_2^33S and H_2^32S isotopologues revisited, J. Mol.
	Spectrosc. 298 (Supplement C) (2014) 31 – 37.
	http://dx.doi.org/10.1016/j.jms.2014.02.002
	doi:10.1016/j.jms.2014.02.002.
	
	85BuFeMe.H2S
	A. V. Burenin, T. M. Fevralskikh, A. A. Melnikov, S. M. Shapin, Microwave
	spectrum of the hydrogen sulfide molecule H_2^32S in the ground
	state, J. Mol. Spectrosc. 109 (1985) 1–7.
	http://dx.doi.org/10.1016/0022-2852(85)90045-1
	doi:10.1016/0022-2852(85)90045-1.
	
	94YaKlxx.H2S
	K. M. T. Yamada, S. Klee, Pure rotational spectrum of H_2S in the
	far-infrared region measured by FTIR spectroscopy, J. Mol. Spectrosc. 166
	(1994) 395–405.
	http://dx.doi.org/10.1006/jmsp.1994.1204
	doi:10.1006/jmsp.1994.1204.
	
	13CaPu.H2S
	G. Cazzoli, C. Puzzarini, Sub-doppler resolution in the THz frequency domain:
	1 kHz accuracy at 1 THz by exploiting the lamb-dip technique, J. Phys.
	Chem. A 117 (2013) 13759–13766.
	http://dx.doi.org/10.1021/jp407980f
	doi:10.1021/jp407980f.
	
	jt558
	A. A. A. Azzam, S. N. Yurchenko, J. Tennyson, M.-A. Martin, O. Pirali,
	Terahertz spectroscopy of hydrogen sulfide, J. Quant. Spectrosc. Radiat.
	Transf. 130 (2013) 341–51.
	http://dx.doi.org/10.1016/j.jqsrt.2013.05.035
	doi:10.1016/j.jqsrt.2013.05.035.
	
	83FlCaJo.H2S
	J.-M. Flaud, C. Camy-Peyret, J. W. C. Johns, The far-infrared spectrum of
	hydrogen-sulfide - the (000) rotational-constants of H_2^32S,
	H_2^33S and H_2^34S, Can. J. Phys. 61 (1983) 1462–1473.
	http://dx.doi.org/10.1139/p83-188
	doi:10.1139/p83-188.
	
	18UlBeGr.H2S
	O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova, P. A. Glushkov, A. P.
	Scherbakov, V.-M. Horneman, C. Sydow, C. Maul, S. Bauerecker, Extended
	analysis of the high resolution FTIR spectra of H_2^MS (m =
	32,33,34,36) in the region of the bending fundamental band: the ν_2 and
	bands: line positions, strengths, and pressure broadening widths, J. Quant.
	Spectrosc. Radiat. Transf. 216 (2018) 76 – 98.
	http://dx.doi.org/10.1016/j.jqsrt.2018.05.009
	doi:10.1016/j.jqsrt.2018.05.009.
	
	82LaEdGi.H2S
	W. C. Lane, T. H. Edwards, J. R. Gillis, F. S. Bonomo, F. J. Murcray, Analysis
	of ν_2 of H_2S, J. Mol. Spectrosc. 95 (1982) 365–380.
	http://dx.doi.org/10.1016/0022-2852(82)90136-9
	doi:10.1016/0022-2852(82)90136-9.
	
	83Strow.H2S
	L. L. Strow, Measurement and analysis of the ν_2 band of H_2S:
	Comparison among several reduced forms of the rotational hamiltonian, J. Mol.
	Spectrosc. 97 (1983) 9–28.
	http://dx.doi.org/10.1016/0022-2852(83)90334-X
	doi:10.1016/0022-2852(83)90334-X.
	
	96UlMaKo.H2S
	O. N. Ulenikov, A. B. Malikova, M. Koivusaari, S. Alanko, R. Anttila, High
	resolution vibrational rotational spectrum of H_2S in the region of the
	ν_2 fundamental band, J. Mol. Spectrosc. 176 (1996) 229–235.
	http://dx.doi.org/10.1006/jmsp.1996.0082
	doi:10.1006/jmsp.1996.0082.
	
	98BrCrCr.H2S
	L. R. Brown, J. A. Crisp, D. Crisp, O. V. Naumenko, M. A. Smirnov, L. N.
	Sinitsa, A. Perrin, The absorption spectrum of H_2S between 2150 and 4260
	cm^-1: Analysis of the positions and intensities in the first
	(2ν_2, ν_1, and ν_3) and second (3ν_2, ν_1 /
	ν_2, and ν_2 / ν_3) triad regions, J. Mol. Spectrosc. 188
	(1998) 148–174.
	http://dx.doi.org/10.1006/jmsp.1997.7501
	doi:10.1006/jmsp.1997.7501.
	
	17Horneman.H2S
	V. M. Horneman, Private Communication.
	
	84LeFlCa.H2S
	L. Lechuga-Fossat, J.-M. Flaud, C. Camy-Peyret, J. W. C. Johns, The spectrum of
	natural hydrogen-sulfide between 2150 cm^-1 and 2950 cm^-1, Can. J.
	Phys. 62 (1984) 1889–1923.
	http://dx.doi.org/10.1139/p84-233
	doi:10.1139/p84-233.
	
	81GiEd.H2S
	J. R. Gillis, T. H. Edwards, Analysis of 2ν_2, ν_1, and ν_3 of
		H_2S, J. Mol. Spectrosc. 85 (1981) 55–73.
	http://dx.doi.org/10.1016/0022-2852(81)90309-X
	doi:10.1016/0022-2852(81)90309-X.
	
	96UlOnKo.H2S
	O. N. Ulenikov, G. A. Onopenko, M. Koivusaari, S. Alanko, R. Anttila, High
	resolution fourier transform spectrum of H_2S in the 3300-4080 cm^-1
	region, J. Mol. Spectrosc. 176 (1996) 236–250.
	http://dx.doi.org/10.1006/jmsp.1996.0083
	doi:10.1006/jmsp.1996.0083.
	
	05UlLiBe.H2S
	O. N. Ulenikov, A.-W. Liu, E. S. Bekhtereva, O. V. Gromova, L.-Y. Hao, S.-M.
	Hu, High-resolution fourier transform spectrum of H_2S in the region of
	the second hexade, J. Mol. Spectrosc. 234 (2005) 270–278.
	http://dx.doi.org/10.1016/j.jms.2005.09.010
	doi:10.1016/j.jms.2005.09.010.
	
	97BrCrCr.H2S
	L. R. Brown, J. A. Crisp, D. Crisp, O. V. Naumenko, M. A. Smirnov, L. N.
	Sinitsa, The first hexad of interacting states of H_2S molecule, SPIE
	3090 (1997) 111–113.
	http://dx.doi.org/10.1117/12.267745
	doi:10.1117/12.267745.
	
	18Liu.H2S
	A.-W. Liu, Private Communication.
	
	04BrNaPoa.H2S
	L. R. Brown, O. V. Naumenko, E. R. Polovtseva, L. N. Sinitsa, Hydrogen sulfide
	absorption spectrum in the 5700–6600 cm^-1 spectral region, Proceedings
	14th Symposium on High-Resolution Molecular Spectroscopy 5311 (2004) 59–67.
	http://dx.doi.org/10.1117/12.545192
	doi:10.1117/12.545192.
	
	04BrNaPoSi.H2S
	L. R. Brown, O. V. Naumenko, E. R. Polovtseva, L. N. Sinitsa, Absorption
	spectrum of H_2S between 7200 and 7890 cm^-1, Proc. SPIE 5396 (2004)
	5396–5397.
	http://dx.doi.org/10.1117/12.548211
	doi:10.1117/12.548211.
	
	04UlLiBe.H2S
	O. N. Ulenikov, A.-W. Liu, E. S. Bekhtereva, O. V. Gromova, L.-Y. Hao, S.-M.
	Hu, On the study of high-resolution rovibrational spectrum of H_2S in the
	region of 7300–7900 cm^-1, J. Mol. Spectrosc. 226 (2004) 57–70.
	http://dx.doi.org/10.1016/j.jms.2004.03.014
	doi:10.1016/j.jms.2004.03.014.
	
	04UlLiBeb.H2S
	O. N. Ulenikov, A.-W. Liu, E. S. Bekhtereva, S. V. Grebneva, W.-P. Deng, O. V.
	Gromova, S.-M. Hu, High resolution fourier transform spectrum of H_2S in
	the region of 8500-8900 cm^-1, J. Mol. Spectrosc. 228 (2004) 110–119.
	http://dx.doi.org/10.1016/j.jms.2004.07.011
	doi:10.1016/j.jms.2004.07.011.
	
	04BrNaPob.H2S
	L. R. Brown, O. V. Naumenko, E. R. Polovtseva, L. N. Sinitsa, Hydrogen sulfide
	absorption spectrum in the 8400–8900 cm^-1 spectral region, Eleventh
	International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics
	5743 (2004) 1–7.
	http://dx.doi.org/10.1117/12.606253
	doi:10.1117/12.606253.
	
	03DiNaHu.H2S
	Y. Ding, O. Naumenko, S.-M. Hu, Q. Zhu, E. Bertseva, A. Campargue, The
		absorption spectrum of H_2S between 9540 and 10000 cm^-1 by intracavity
		laser absorption spectroscopy with a vertical external cavity surface
		emitting laser, J. Mol. Spectrosc. 217 (2003) 222–238.
	http://dx.doi.org/10.1016/S0022-2852(02)00037-1
	doi:10.1016/S0022-2852(02)00037-1.
	
	01NaCaxxa.H2S
	O. Naumenko, A. Campargue, H_2^32S : First Observation of the
		(70±,0) Local Mode Pair and Updated Global Effective Vibrational
		Hamiltonian, J. Mol. Spectrosc. 210 (2001) 224–232.
	http://dx.doi.org/10.1006/jmsp.2001.8460
	doi:10.1006/jmsp.2001.8460.
	
	94GrRaSt.H2S
	R. Großkloß, S. B. Rai, R. Stuber, W. Demtroder, Diode laser overtone
	spectroscopy of hydrogen sulfide, Chem. Phys. Lett. 229 (1994) 609–615.
	http://dx.doi.org/10.1016/0009-2614(94)01079-X
	doi:10.1016/0009-2614(94)01079-X.
	
	97VaBiCa.H2S
	O. Vaittinen, L. Biennier, A. Campargue, J.-M. Flaud, L. Halonen, Local mode
	effects on the high-resolution overtone spectrum of H_2S around 12500
	cm^-1, J. Mol. Spectrosc. 184 (1997) 288–299.
	http://dx.doi.org/10.1006/jmsp.1997.7319
	doi:10.1006/jmsp.1997.7319.
	
	99CaFlxx.H2S
	A. Campargue, J.-M. Flaud, The overtone spectrum of H_2^32S near 13 200
	cm^-1, J. Mol. Spectrosc. 194 (1999) 43–51.
	http://dx.doi.org/10.1006/jmsp.1998.7754
	doi:10.1006/jmsp.1998.7754.
	
	01NaCaxxb.H2S
	O. Naumenko, A. Campargue, Local mode effects in the absorption spectrum of
	H_2S between 10780 and 11330 cm^-1, J. Mol. Spectrosc. 209 (2001)
	242–253.
	http://dx.doi.org/10.1006/jmsp.2001.8417
	doi:10.1006/jmsp.2001.8417.
	
	02CoRoTy.H2S
	T. Cours, P. Rosmus, V. G. Tyuterev, Ab initio dipole moment functions of
	H_2^32S and intensity anomalies in rovibrational spectra, J. Chem.
	Phys. 117 (2002) 5192–5208.
	http://dx.doi.org/10.1063/1.1499487
	doi:10.1063/1.1499487.
	
	94WaKuSu.H2S
	J. Waschull, F. Kuhnemann, B. Sumpf, Self-, air, and helium broadening in the
	ν_2 band of H_2S, J. Mol. Spectrosc. 165 (1994) 150–158.
	http://dx.doi.org/10.1006/jmsp.1994.1117
	doi:10.1006/jmsp.1994.1117.
	
	96SuMeKr.H2S
	B. Sumpf, I. Meusel, H.-D. Kronfeldt, Self- and air-broadening in the ν_1
	and ν_3 bands of H_2S, J. Mol. Spectrosc. 177 (1996) 143–145.
	http://dx.doi.org/10.1006/jmsp.1996.0126
	doi:10.1006/jmsp.1996.0126.
	
	97SuMeKr.H2S
	B. Sumpf, I. Meusel, H.-D. Kronfeldt, Noble gas broadening in fundamental bands
	of H_2S, J. Mol. Spectrosc. 184 (1997) 51–55.
	http://dx.doi.org/10.1006/jmsp.1997.7290
	doi:10.1006/jmsp.1997.7290.
	
	97Suxxxx.H2S
	B. Sumpf, Experimental Investigation of the Self-Broadening Coefficients in
		the ν_1 / ν_3 Band of SO_2 and the 2ν_2 Band of H_2S,
	J. Mol. Spectrosc. 181 (1997) 160–167.
	http://dx.doi.org/10.1006/jmsp.1996.7168
	doi:10.1006/jmsp.1996.7168.
	
	98PiPoCo
	H. M. Pickett, R. L. Poynter, E. A. Cohen, M. L. Delitsky, J. C. Pearson,
	H. S. P. Muller, Submillimeter, millimeter, and microwave spectral line
	catalog, J. Quant. Spectrosc. Radiat. Transf. 60 (1998) 883–890.
	http://dx.doi.org/10.1016/S0022-4073(98)00091-0
	doi:10.1016/S0022-4073(98)00091-0.
	
	73HeDeKi.H2S
	P. Helminger, F. C. De Lucia, W. H. Kirchhoff, Microwave spectra of molecules
	of astrophysical interest IV. Hydrogen sulfide, J. Phys. Chem. Ref. Data
	2 (1973) 215–223.
	http://dx.doi.org/10.1063/1.3253117
	doi:10.1063/1.3253117.
	
	02KiSuKr.H2S
	A. Kissel, B. Sumpf, H.-D. Kronfeldt, B. A. Tikhomirov, Y. N. Ponomarev,
	Molecular-gas-pressure-induced line-shift and line-broadening in the
	ν_2-band of H_2S, J. Mol. Spectrosc. 216 (2002) 345–354.
	http://dx.doi.org/10.1006/jmsp.2002.8630
	doi:10.1006/jmsp.2002.8630.
	
	98RoRiGo.db
	L. S. Rothman, C. P. Rinsland, A. Goldman, S. T. Massie, D. P. Edwards, J. M.
	Flaud, A. Perrin, C. Camy-Peyret, V. Dana, J. Y. Mandin, J. Schroeder,
	A. McCann, R. R. Gamache, R. Wattson, K. Yoshino, K. V. Chance, K. W. Jucks,
	L. R. Brown, V. Nemtchinov, P. Varanasi, The HITRAN molecular spectroscopic
	database and HAWKS (HITRAN atmospheric workstation): 1996 edition, J.
	Quant. Spectrosc. Radiat. Transf. 60 (1998) 665–710.
	http://dx.doi.org/10.1016/S0022-4073(98)00078-8
	doi:10.1016/S0022-4073(98)00078-8.
	
	87LeFlCa.H2S
	L. Lechuga-Fossat, J.-M. Flaud, C. Camy-Peyret, P. Arcas, M. Cuisenier, The
	H_2S spectrum in the 1.6μm spectral region, Mol. Phys. 61 (1987)
	23–32.
	http://dx.doi.org/10.1080/00268978700100961
	doi:10.1080/00268978700100961.
	
	13Azzamx.H2S
	A. A. A. Azzam, A linelist for the hydrogen sulphide molecule, Ph.D. thesis,
	University College London, the thesis is available on-line at  (2013).
	
	94KoJexx.H2S
	I. N. Kozin, P. Jensen, Fourfold clusters of rotational energy levels for
	H_2S studied with a potential energy surface derived from experiment,
	J. Mol. Spectrosc. 163 (1994) 483–509.
	http://dx.doi.org/10.1006/jmsp.1994.1041
	doi:10.1006/jmsp.1994.1041.
	
	95FlGrRa.H2S
	J. M. Flaud, R. Grosskloss, S. B. Rai, R. Struber, W. Demtroder, D. A. Tate,
	L. guo Wang, T. F. Gallagher, Diode laser Spectroscopy of H_2^32S
		around 0.82 μm, J. Mol. Spectrosc. 172 (1995) 275–281.
	http://dx.doi.org/10.1006/jmsp.1995.1175
	doi:10.1006/jmsp.1995.1175.
	
	85LaEdGi.H2S
	W. C. Lane, T. H. Edwards, J. R. Gillis, F. S. Bonomo, F. J. Murcray, Analysis
	of ν_2 of H_2^33S and H_2^34S, J. Mol. Spectrosc.
	111 (1985) 320–326.
	http://dx.doi.org/10.1016/0022-2852(85)90008-6
	doi:10.1016/0022-2852(85)90008-6.
	
	94ByNaSm.H2S
	A. D. Bykov, O. V. Naumenko, M. A. Smirnov, L. N. Sinitsa, L. R. Brown,
	J. Crisp, D. Crisp, The infrared-spectrum of H_2S from 1 to 5 μm,
	Can. J. Phys. 72 (1994) 989–1000.
	http://dx.doi.org/10.1139/p94-130
	doi:10.1139/p94-130.
	
	01TyTaSc.H2S
	V. G. Tyuterev, S. A. Tashkun, D. W. Schwenke, An accurate isotopically
	invariant potential function of the hydrogen sulphide molecule, Chem. Phys.
	Lett. 348 (2001) 223–234.
	http://dx.doi.org/10.1016/S0009-2614(01)01093-4
	doi:10.1016/S0009-2614(01)01093-4.
	
	69MiLeHa.H2S
	R. E. Miller, G. E. Leroi, T. M. Hard, Analysis of the pure rotational
	absorption spectra of hydrogen sulfide and deuterium sulfide, J. Chem. Phys.
	50 (1969) 677–684.
	http://dx.doi.org/10.1063/1.1671116
	doi:10.1063/1.1671116.
	
	69SnEd.H2S
	L. E. Snyder, T. H. Edwards, Simultaneous analysis of the (110) and (011) bands
	of hydrogen sulfide, J. Mol. Spectrosc. 31 (1969) 347–361.
	http://dx.doi.org/10.1016/0022-2852(69)90365-8
	doi:10.1016/0022-2852(69)90365-8.
	
	jt557
	L. S. Rothman, I. E. Gordon, Y. Babikov, A. Barbe, D. C. Benner, P. F. Bernath,
	M. Birk, L. Bizzocchi, V. Boudon, L. R. Brown, A. Campargue, K. Chance, E. A.
	Cohen, L. H. Coudert, V. M. Devi, B. J. Drouin, A. Fayt, J.-M. Flaud, R. R.
	Gamache, J. J. Harrison, J.-M. Hartmann, C. Hill, J. T. Hodges,
	D. Jacquemart, A. Jolly, J. Lamouroux, R. J. Le Roy, G. Li, D. A. Long,
	O. M. Lyulin, C. J. Mackie, S. T. Massie, S. Mikhailenko, H. S. P.
	Müller, O. V. Naumenko, A. V. Nikitin, J. Orphal, V. Perevalov,
	A. Perrin, E. R. Polovtseva, C. Richard, M. A. H. Smith, E. Starikova,
	K. Sung, S. Tashkun, J. Tennyson, G. C. Toon, V. G. Tyuterev, G. Wagner, The
		HITRAN 2012 molecular spectroscopic database, J. Quant. Spectrosc.
	Radiat. Transf. 130 (2013) 4 – 50.
	http://dx.doi.org/10.1016/jqsrt.2013.07.002
	doi:10.1016/jqsrt.2013.07.002.
	
	jt691
	I. E. Gordon, L. S. Rothman, C. Hill, R. V. Kochanov, Y. Tan, P. F. Bernath,
	M. Birk, V. Boudon, A. Campargue, K. V. Chance, B. J. Drouin, J.-M. Flaud,
	R. R. Gamache, J. T. Hodges, D. Jacquemart, V. I. Perevalov, A. Perrin, K. P.
	Shine, M.-A. H. Smith, J. Tennyson, G. C. Toon, H. Tran, V. G. Tyuterev,
	A. Barbe, A. G. Császár, V. M. Devi, T. Furtenbacher, J. J. Harrison,
	J.-M. Hartmann, A. Jolly, T. J. Johnson, T. Karman, I. Kleiner, A. A.
	Kyuberis, J. Loos, O. M. Lyulin, S. T. Massie, S. N. Mikhailenko,
	N. Moazzen-Ahmadi, H. S. P. Müller, O. V. Naumenko, A. V. Nikitin, O. L.
	Polyansky, M. Rey, M. Rotger, S. W. Sharpe, K. Sung, E. Starikova, S. A.
	Tashkun, J. Vander Auwera, G. Wagner, J. Wilzewski, P. Wcisło, S. Yu,
	E. J. Zak, The HITRAN 2016 molecular spectroscopic database, J.
	Quant. Spectrosc. Radiat. Transf. 203 (2017) 3–69.
	http://dx.doi.org/10.1016/j.jqsrt.2017.06.038
	doi:10.1016/j.jqsrt.2017.06.038.
	
	92RoGaTi.db
	L. Rothman, R. R. Gamache, R. H. Tipping, C. P. Rinsland, M. A. H. Smith, D. C.
	Benner, V. M. Devi, J. M. Flaud, C. Camy-Peyret, A. Perrin, A. Goldman, S. T.
	Massie, L. R. Brown, R. A. Toth, The HITRAN molecular database - editions
	of 1991 and 1992, J. Quant. Spectrosc. Radiat. Transf. 48 (1992) 469–507.
	http://dx.doi.org/10.1016/0022-4073(92)90115-K
	doi:10.1016/0022-4073(92)90115-K.
	
	01RoBaBe.db
	L. S. Rothman, A. Barbe, D. C. Benner, L. R. Brown, C. Camy-Peyret, M. R.
	Carleer, K. Chance, C. Clerbaux, V. Dana, V. M. Devi, A. Fayt, J. M. Flaud,
	R. R. Gamache, A. Goldman, D. Jacquemart, K. W. Jucks, W. J. Lafferty, J. Y.
	Mandin, S. T. Massie, V. Nemtchinov, D. A. Newnham, A. Perrin, C. P.
	Rinsland, J. Schroeder, K. M. Smith, M. A. H. Smith, K. Tang, R. A. Toth,
	J. Vander Auwera, P. Varanasi, K. Yoshino, The HITRAN molecular
	spectroscopic database: edition of 2000 including updates through 2001, J.
	Quant. Spectrosc. Radiat. Transf. 82 (2003) 5–44.
	http://dx.doi.org/10.1016/S0022-4073(03)00146-8
	doi:10.1016/S0022-4073(03)00146-8.
	
	jt350
	L. S. Rothman, D. Jacquemart, A. Barbe, D. C. Benner, M. Birk, L. R. Brown,
	M. R. Carleer, C. Chackerian, K. Chance, L. H. Coudert, V. Dana, V. M. Devi,
	J.-M. Flaud, R. R. Gamache, A. Goldman, J.-M. Hartmann, K. W. Jucks, A. G.
	Maki, J.-Y. Mandin, S. T. Massie, J. Orphal, A. Perrin, C. P. Rinsland,
	M. A. H. Smith, J. Tennyson, R. N. Tolchenov, R. A. Toth, J. Vander Auwera,
	P. Varanasi, G. Wagner, The HITRAN 2004 molecular spectroscopic
		database, J. Quant. Spectrosc. Radiat. Transf. 96 (2005) 139–204.
	
	jt453
	L. S. Rothman, I. E. Gordon, A. Barbe, D. C. Benner, P. F. Bernath, M. Birk,
	V. Boudon, L. R. Brown, A. Campargue, J. P. Champion, K. Chance, L. H.
	Coudert, V. Dana, V. M. Devi, S. Fally, J. M. Flaud, R. R. Gamache,
	A. Goldman, D. Jacquemart, I. Kleiner, N. Lacome, W. J. Lafferty, J. Y.
	Mandin, S. T. Massie, S. N. Mikhailenko, C. E. Miller, N. Moazzen-Ahmadi,
	O. V. Naumenko, A. V. Nikitin, J. Orphal, V. I. Perevalov, A. Perrin,
	A. Predoi-Cross, C. P. Rinsland, M. Rotger, M. Simeckova, M. A. H. Smith,
	K. Sung, S. A. Tashkun, J. Tennyson, R. A. Toth, A. C. Vandaele,
	J. Vander Auwera, The HITRAN 2008 molecular spectroscopic database,
	J. Quant. Spectrosc. Radiat. Transf. 110 (2009) 533–572.
	
	jt640
	A. A. A. Azzam, S. N. Yurchenko, J. Tennyson, O. V. Naumenko, ExoMol line
		lists XVI: A Hot Line List for H_2S, Mon. Not. R. Astron. Soc. 460
	(2016) 4063–4074.
	http://dx.doi.org/10.1093/mnras/stw1133
	doi:10.1093/mnras/stw1133.
	
	jt528
	J. Tennyson, S. N. Yurchenko, ExoMol: molecular line lists for exoplanet and
		other atmospheres, Mon. Not. R. Astron. Soc. 425 (2012) 21–33.
	http://dx.doi.org/10.1111/j.1365-2966.2012.21440.x
	doi:10.1111/j.1365-2966.2012.21440.x.
	
	jt631
	J. Tennyson, S. N. Yurchenko, A. F. Al-Refaie, E. J. Barton, K. L. Chubb, P. A.
	Coles, S. Diamantopoulou, M. N. Gorman, C. Hill, A. Z. Lam, L. Lodi, L. K.
	McKemmish, Y. Na, A. Owens, O. L. Polyansky, T. Rivlin, C. Sousa-Silva, D. S.
	Underwood, A. Yachmenev, E. Zak, The ExoMol database: molecular line lists
		for exoplanet and other hot atmospheres, J. Mol. Spectrosc. 327 (2016)
	73–94.
	http://dx.doi.org/10.1016/j.jms.2016.05.002
	doi:10.1016/j.jms.2016.05.002.
	
	jt570
	R. J. Barber, J. K. Strange, C. Hill, O. L. Polyansky, G. C. Mellau, S. N.
	Yurchenko, J. Tennyson, ExoMol line lists – III. An improved hot
		rotation-vibration line list for HCN and HNC, Mon. Not. R. Astron. Soc. 437
	(2014) 1828–1835.
	http://dx.doi.org/10.1093/mnras/stt2011
	doi:10.1093/mnras/stt2011.
	
	17McChRi
	L. K. McKemmish, K. L. Chubb, T. Rivlin, J. S. Baker, M. N. Gorman, A. Heward,
	W. Dunn, M. Tessenyi, Bringing pupils into the ORBYTS of research,
	Astronomy & Geophysics 58 (5) (2017) 5.11.
	http://dx.doi.org/10.1093/astrogeo/atx169
	doi:10.1093/astrogeo/atx169.
	
	jt709
	C. Sousa-Silva, L. K. McKemmish, K. L. Chubb, J. Baker, E. J. Barton, M. N.
	Gorman, T. Rivlin, J. Tennyson, Original Research By Young Twinkle Students
		(ORBYTS): When can students start performing original research?, Phys. Educ.
	53 (2018) 015020.
	http://dx.doi.org/10.1088/1361-6552/aa8f2a
	doi:10.1088/1361-6552/aa8f2a.
	


 


