TY - JOUR
T1 - Reference spectroscopic data for hydrogen halides, Part II
T2 - The line lists
AU - Li, Gang
AU - Gordon, Iouli E.
AU - Hajigeorgiou, Photos G.
AU - Coxon, John A.
AU - Rothman, Laurence S.
PY - 2013/11
Y1 - 2013/11
N2 - Accurate spectroscopic parameters for the hydrogen halides, namely HF, HCl, HBr, and HI, together with their deuterated isotopologues, are crucial for the quantitative study of terrestrial and planetary atmospheres, astrophysical objects, and chemical lasers. A thorough evaluation of all the hydrogen halide line parameters in previous HITRAN editions has been carried out. A new set of line lists was generated for the HITRAN2012 edition using methods described here. In total, 131,798 entries were generated for numerous pure-rotational and ro-vibrational transitions (fundamental, overtone, and hot bands) for hydrogen halides and their deuterated species in a standard HITRAN 160-character format. Data for the deuterated isotopologues have been entered into HITRAN for the first time. The calculations employ the recently developed semi-empirical dipole moment functions [Li G, et al. J Quant Spectrosc Radiat Transfer 2013;121:78-90] and very accurate analytical potential energy functions and associated functions characterizing Born-Oppenheimer breakdown effects. Line-shape parameters have also been updated using the most recent available experimental and theoretical studies. Comparison with the previous HITRAN compilation has shown significant improvements.
AB - Accurate spectroscopic parameters for the hydrogen halides, namely HF, HCl, HBr, and HI, together with their deuterated isotopologues, are crucial for the quantitative study of terrestrial and planetary atmospheres, astrophysical objects, and chemical lasers. A thorough evaluation of all the hydrogen halide line parameters in previous HITRAN editions has been carried out. A new set of line lists was generated for the HITRAN2012 edition using methods described here. In total, 131,798 entries were generated for numerous pure-rotational and ro-vibrational transitions (fundamental, overtone, and hot bands) for hydrogen halides and their deuterated species in a standard HITRAN 160-character format. Data for the deuterated isotopologues have been entered into HITRAN for the first time. The calculations employ the recently developed semi-empirical dipole moment functions [Li G, et al. J Quant Spectrosc Radiat Transfer 2013;121:78-90] and very accurate analytical potential energy functions and associated functions characterizing Born-Oppenheimer breakdown effects. Line-shape parameters have also been updated using the most recent available experimental and theoretical studies. Comparison with the previous HITRAN compilation has shown significant improvements.
KW - Deuterated species
KW - HITRAN database
KW - Hydrogen halides
KW - Line position calculation
KW - Line-shape parameters
UR - http://www.scopus.com/inward/record.url?scp=84885172789&partnerID=8YFLogxK
U2 - 10.1016/j.jqsrt.2013.07.019
DO - 10.1016/j.jqsrt.2013.07.019
M3 - Article
AN - SCOPUS:84885172789
SN - 0022-4073
VL - 130
SP - 284
EP - 295
JO - Journal of Quantitative Spectroscopy and Radiative Transfer
JF - Journal of Quantitative Spectroscopy and Radiative Transfer
ER -