Some Details of the Upcoming HITRAN Updates for the New Edition of 2008

1. H2O –water H2O –water H2O –water O3 – ozone O3 –ozone CO2 – carbon dioxide CH4 – methane CH4 – methane O2 – oxygen O2 – oxygen HNO3 – nitric acid HNO3 – nitric acid HNO3 – nitric acid SO2 – sulfur dioxide OCS – carbonyl sulfide C2H2 –acetylene H2CO – formaldehyde H2O2 – hydrogen peroxide OH – hydroxyl HCN – hydrogen cyanide SF6 – sulfur hexafluoride N2 – nitrogen C2H6 –ethane C2H4 – ethylene CH3Br – methyl bromide HCOOH – formic acid Some Details of the Upcoming HITRAN Updates for the New Edition of 2008 Laurence S. Rothman, Iouli E. Gordon Harvard-Smithsonian Center for Astrophysics, Cambridge, USA Editions of the HITRAN compilation have generally been made available every leap year. These official editions are described in articles in JQSRT. In the intervening years important updates are posted in the HITRAN web site. We highlight here some of the updates that have appeared since the last edition [1], updates that we are confident will appear in this year’s edition, and a few updates that are on our wish list. Updates involve many issues: replacement of parameters with significantly improved data; coverage of new bands or isotopologues (either calculated or experimental); new parameters or completing sets of parameters. The updates are discussed and validated first by the HITRAN International Advisory Committee. Some updates, even though considered critical, are either in our wish list or require considerable more effort to complete. The list below is far from comprehensive. Line lists expected in new edition of HITRAN Line lists that are in progress or desired Existing line lists to be transcribed from HITRAN web site The air-broadened half-widths for the three most abundant isotopologues of water have been completely updated [2]. An update has also been made for the H217O and H218O isotopologues in the near-IR and visible region [3]. Reassignment of visible spectra [Tennyson et al] Update of γself [Gamache et al] Implement IUPAC results [see talk III-2 by Tennyson] Line coupling [Brown et al] A major update has been made for the first three isotopologues of ozone [4]. The new data cover bands in the spectral range 1632 to 4845 cm-1, thereby extending the short wavelength coverage of HITRAN. In addition, an improved algorithm for incorporating ozone line-shape parameters has been applied to all ozone bands in the compilation. OCO line list for near IR [see talk II-1 by Miller] CDSD [see talk II-3 by Tashkun et al] Weak bands [see talk II-1 and poster PI-6 by Campargue et al] Extend wavenumber range [see talk III-4 by Barbe] Intensity consistency between bands In the UV, a new line list has been created for the Herzberg bands, and corrections have been made to the Schumann-Runge line list. In addition, corrections to the Einstein A-coefficients for all transitions have been implemented. Scale MW intensities [Ozier et al] Fix identifications in IR [Brown] Improve polyads [see talk II-5 byBrown] Line-mixing [Benner et al] Line parameters have been completely updated in the region from 600 to 1790 cm-1. The new data come from the work that went into the MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) database [5]. Update fundamentals 1 and 3[see talk V-5 by Flaud] Update 2 and 1 +3[Barbe et al; Henningsen] A-band update [see talk II-5 by Brown] The intensities of the 3 band of the principal isotopologue (the region around 5 µm) were updated [6]. In this update, the same scaling was also applied to the hot and cold bands of the various isotopologues. Update MW lines [see talk III-1 by Drouin] Ongoing updates [see poster PII-5 by Perrin et al] The old hydrogen peroxide data previously in HITRAN for the 6 band in the 7.9-µm region have been completely replaced[7]. New line list [see talk V-6 by Perrin] Revision [see poster PII-2 by Gordon et al] New bands have been added to HITRAN in the 2.5- and 3.8-µm regions [8]. Updated line list and improved half-widths [MAH Smith] The data existing for the 9 fundamental band in the 12-µm region that has existed for a long time in previous editions of HITRAN has been completely removed. They have been replaced with a new line list that includes the bands: 9 , 34 , 9+ 4 - 4 , and 9 + 24 - 24 [9]. Revision [Goldman] New line list [Boudon] Numerous other improvements and enhancements to the compilation are being considered, for example: ►More temperature-pressure sets of cross-sections (IR and UV) ►Improved database structure (see talk III-3 by Fazliev) ►High-temperature parameters (HITEMP) ►Molecules for astrophysics applications ►Refined line-shape parameters ►Additional line-mixing algorithms ►Collision-Induced Absorption bands Updated line list [see poster PII-7 by Vander Auwera] Update based on the works of Ref. [10]. References [1] L.S. Rothman et al, JQSRT 96, 139-204 (2005). [2] I.E. Gordon et al, JQSRT108, 389-402 (2007). [3] M.Tanaka et al, JMS234, 1-9 (2005). [4] S. Mikhailenko et al, submitted to Appl.Opt. (2008). [5] J.-M. Flaud et al, Atmos.Chem.Phys.Discuss.6, 4251-4272 (2006). [6] L. Régalia-Jarlot et al, JQSRT74, 455-470 (2002); J. Vander Auwera and A. Fayt, J.Mol.Struct. 780-781, 134-141 (2006). [7] A. Perrin et al, JMS171, 358-373 (1995); S. Klee et al, JMS195, 154-161 (1999). [8] O.M. Lyulin et al,JQSRT103, 496-523 (2007); D. Jacquemart et al, JQSRT103, 478-495 (2007). [9] J. Vander Auwera, N. Moazzen-Ahmadi, J.-M. Flaud, Ap.J.662, 750-757 (2007). [10] A. Perrin and J. Vander Auwera, JQSRT108, 363-370 (2007); J. Vander Auwera et al, J.Chem.Phys.126, 124311 (2007). New Molecule [see poster PII-11 by Jacquemart] BrO – bromine oxide New Molecule [MW catalogs] ____________________________________________ The HITRAN project is supported by the NASA Earth Observing System (EOS) under the grant NAG5-13524