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JPL Spectral Line Catalog

JPL Spectral Line Catalog. Brian J. Drouin, Herbert M. Pickett. New Catalog Additions. 2008/04/13 102002 ClClOO 15078 1* 2008/03/28 47010 cis-HC-13-OO 15887 1* 2008/03/28 47009 cis-HCOOD 17502 1* 2008/03/28 47008 cis-DCOOH 22490 1* 2008/03/28 47004 HCOOD 18903 2*

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JPL Spectral Line Catalog

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  1. JPL Spectral Line Catalog Brian J. Drouin, Herbert M. Pickett JPL Spectral Line Catalog

  2. New Catalog Additions • 2008/04/13 102002 ClClOO 15078 1* • 2008/03/28 47010 cis-HC-13-OO 15887 1* • 2008/03/28 47009 cis-HCOOD 17502 1* • 2008/03/28 47008 cis-DCOOH 22490 1* • 2008/03/28 47004 HCOOD 18903 2* • 2008/03/28 47003 DCOOH 21405 2* • 2008/03/28 47002 HC-13-OOH 16515 2* • 2008/03/26 52009 CH3Cl-37 6403 2* • 2008/03/26 50007 CH3Cl-35 100532* • 2008/03/25 72001 CaS 382 1* • 2008/03/25 58003 CH3COCH3 61834 1* • 2008/03/25 32003 CH3OH 4665 2* • 2007/07/10 18003 H2O 3086 6* • 2007/06/01 74003 C3H6O2 60054 1* • 2007/03/06 31007 D13CO+ 40 1* • 2007/03/06 29002 HCO+ v=0,1,2 373 4* • 2007/02/15 39005 NaO 6440 1* • 2007/02/06 96002 S3 12039 1* • 2007/02/06 128001 S4 6640 1* • 2007/01/16 53001 C2H3CN 75697 3* • 2006/11/13 44013 C3H8 183835 2* • 2006/07/20 54005 HOCl-37 40627 4* • 2006/07/20 52006 HOCl 40352 4* HITRAN species in red Atmospheric species in blue JPL Spectral Line Catalog

  3. HOCl Update • Frequencies from combined analysis published in Journal of Quantitative Spectroscopy & Radiative Transfer 103 (2007) 558–564. • Includes Doppler resolved data to 1.8 THz • FIR data of Flaud J-M, Birk M, Wagner G, Orphal J, Klee S, Lafferty WJ. The far infrared spectrum of HOCl: line positions and intensities. J Mol Spectrosc 1998;191:362–7. JPL Spectral Line Catalog

  4. Water Update (same as last time) • Euler fit • best predictability at high J, K • Dipole Fix • Strong lines are ~1% stronger now • Herman Wallis fit to perturbed intensity model • effects strengths high J, K lines especially DK > 3 JPL Spectral Line Catalog

  5. Water Dipole Why are results changing? previously, JPL used a value of 1.84718 D The current value used in the JPL compilation is 1.8546 D, this, when combined with all HW corrections are consistent with measured Stark shifts Where: nStark = (0G + 2GM2)e2 units of G are Hz(V/cm)2 Levels component JPLcat Literaturea%Diff [prev] %Meas 111 (0-1) 2G 0.226678 0.226644(45) 0.02 [-0.80] 0.04 110 (1-0) 2G 0.407111 0.407086(81) 0.01 [-0.77] 0.05 211 (0-1) 2G 0.162935 0.162902(32) 0.02 [-0.86] 0.04 _________________________________________________________ 313-2200G 0.077389 0.077514(11) -0.16 [-0.63] 0.14 313-220 2G -0.042176 -0.042180(17) -0.01 [-0.64] 0.04 616-5230G 0.199024 0.198564(110) 0.23 [-0.81] 0.55 616-523 2G -0.009607 -0.009598(15) 0.10 [-0.97] 0.16 _______________________________________________________________________ a. S. A. Clough, Y. Beers, G. P. Klein, L.S. Rothman, (1973), J. Chem. Phys. 59, 2254-2259, T. R. Dyke and J. S. Muenter, (1973), J. Chem. Phys, 59, 3125-3127. JPL Spectral Line Catalog

  6. Methanol Update • Previous listing limited to J < 12 • New fits approaching J = 30 • MLS interested in Q-branch pile up near 635 GHz (the ClO image sideband) JPL Spectral Line Catalog

  7. Methanol Update • Based on Li-Hong Xu, J. T. Hougen, J. Mol. Spectrosc. 173 (1995) 540-551 which has prediction up to 1 THz • Improved J, K coverage & includes vT = 1 • S values were converted to Iab(300) using Qrv = 6413.573 where Qv(300 K) = 2.187 • No attempts to correct ma, mb for torsion JPL Spectral Line Catalog

  8. Methyl Chloride Update • Partition Function Tweak for both CH335Cl and CH337Cl • Qv (300 K) = 1.041 • CH335Cl Qrv (300 K) = 28103.92 • CH337Cl Qrv (300 K) = 28559.87 JPL Spectral Line Catalog

  9. Other Atmospheric Species • Propane • Acetone • ErHAM analysis to 600 GHz • P. Groner, et al. Ap. J. Supp.142 (2002) 145-151 • S converted to Iab using Qrtv = 15502961 • Chloryl Chloride • Propane • Acetone • Chloryl Chloride • Measurements to 400 GHz • HSP Muller, EA Cohen, 1999 J.Chem.Phys. 110, 11865. • Quadrupole splitting is not included in the catalog • experimental lines have not been merged. • The partition function is without quadrupole splitting. • Propane • SPFIT analysis of data to 1.6 THz • SPCAT calculation of ground and two lowest vibrational • B. J. Drouin, et al. J. Mol. Spectros. 240 (2)  227-237 (2006). • Acetone • Chloryl Chloride JPL Spectral Line Catalog

  10. Oxygen A-band & 1DIntensities • (b) 1S+g • (a) 1Dg • (X) 3S-g JPL Spectral Line Catalog

  11. New Apparatus for Linewidth Measurements 20-200 K JPL Spectral Line Catalog

  12. CO spectra at 20 K Typical Residual (X5) Voigt with FM JPL Spectral Line Catalog

  13. CO Broadening J = 5 - 4 JPL Spectral Line Catalog

  14. CO Broadening J = 5 - 4 JPL Spectral Line Catalog

  15. CO broadening –Non-Power Law below 40 K JPL Spectral Line Catalog

  16. Water Spectra at 22 K JPL Spectral Line Catalog

  17. Water broadening J = 1 JPL Spectral Line Catalog

  18. Water broadening J = 1 JPL Spectral Line Catalog

  19. IR cross-sections • Bruker FTS • Ultimate resolution of 0.002 cm-1 • Cross-cell path 35 cm • MM-wave beam • 5 mW power • DI/I = 10-4 s-1 • Monitor concentration and impurities JPL Spectral Line Catalog

  20. Example: isotope ratios JPL Spectral Line Catalog

  21. Acknowledgements • MLS • Nathaniel Livesey, William Read • Peter Groner • Ed Cohen • John Pearson • Michael Dick • Tim Crawford JPL Spectral Line Catalog

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