1. June 23rdJPL Spectral Line Catalog Brian J. Drouin, Herbert M. Pickett

2. June 23rdJPL Spectral Line Catalog 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 10053 2* 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

3. June 23rdJPL Spectral Line Catalog 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.

4. June 23rdJPL Spectral Line Catalog 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  K > 3

5. June 23rdJPL Spectral Line Catalog 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: Stark = ( 0  + 2     units of  are Hz(V/cm) 2 Levels component JPLcat Literature a %Diff [prev] %Meas 1 11 (0-1) 2  0.226678 0.226644(45) 0.02 [-0.80] 0.04 1 10 (1-0) 2  0.407111 0.407086(81) 0.01 [-0.77] 0.05 2 11 (0-1) 2  0.162935 0.162902(32) 0.02 [-0.86] 0.04 _________________________________________________________ 3 13 -2 20 0  0.077389 0.077514(11) -0.16 [-0.63] 0.14 3 13 -2 20 2  -0.042176 -0.042180(17) -0.01 [-0.64] 0.04 6 16 -5 23 0  0.199024 0.198564(110) 0.23 [-0.81] 0.55 6 16 -5 23 2  -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.

6. June 23rdJPL Spectral Line Catalog 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)

7. June 23rdJPL Spectral Line Catalog 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 v T = 1 S values were converted to I ab (300) using Q rv = 6413.573 where Q v (300 K) = 2.187 No attempts to correct  a,  b for torsion

8. June 23rdJPL Spectral Line Catalog Methyl Chloride Update Partition Function Tweak for both CH 3 35 Cl and CH 3 37 Cl –Q v (300 K) = 1.041 –CH 3 35 Cl Q rv (300 K) = 28103.92 –CH 3 37 Cl Q rv (300 K) = 28559.87

9. June 23rdJPL Spectral Line Catalog Propane Acetone –ErHAM analysis to 600 GHz –P. Groner, et al. Ap. J. Supp.142 (2002) 145-151 –S converted to I ab using Q rtv = 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. Other Atmospheric Species 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

10. June 23rdJPL Spectral Line Catalog Oxygen A-band & 1  Intensities —(b) 1  + g —(a) 1  g —(X) 3  - g

11. June 23rdJPL Spectral Line Catalog New Apparatus for Linewidth Measurements 20-200 K

12. June 23rdJPL Spectral Line Catalog CO spectra at 20 K Typical Residual (X5) Voigt with FM

13. June 23rdJPL Spectral Line Catalog CO Broadening J = 5 - 4

14. June 23rdJPL Spectral Line Catalog CO Broadening J = 5 - 4 Γ = γ 296 P(296/T) n n γ 296 (MHz/Torr) He0.5455 ± 0.00401.8723 ± 0.0089 H2H2 0.5979 ± 0.00242.8235 ± 0.0079 CO 2 0.351 ± 0.0273.953 ± 0.064 N2N2 0.7725 ± 0.00312.376 ± 0.066 O2O2 0.7990 ± 0.00482.1404 ± 0.0081 CO1.691 ± 0.0132.174 ± 0.032

15. June 23rdJPL Spectral Line Catalog CO broadening – Non-Power Law below 40 K

16. June 23rdJPL Spectral Line Catalog Water Spectra at 22 K

17. June 23rdJPL Spectral Line Catalog Water broadening J = 1

18. June 23rdJPL Spectral Line Catalog Water broadening J = 1 Γ = γ 296 P(296/T) n n γ 296 (MHz/Torr) He-0.1551 ± 0.00440.8546 ± 0.0008 H2H2 0.4817 ± 0.00382.8235 ± 0.0079 CO 2 0.492 ± 0.0147.768 ± 0.058 N2N2 0.2718 ± 0.00495.2616 ± 0.019 O2O2 0.4070 ± 0.00442.8079 ± 0.0096

19. June 23rdJPL Spectral Line Catalog IR cross-sections Bruker FTS –Ultimate resolution of 0.002 cm -1 –Cross-cell path 35 cm MM-wave beam –5 mW power –  I/I = 10 -4 s -1 –Monitor concentration and impurities

20. June 23rdJPL Spectral Line Catalog Example: isotope ratios

21. June 23rdJPL Spectral Line Catalog Acknowledgements MLS –Nathaniel Livesey, William Read Peter Groner Ed Cohen John Pearson Michael Dick Tim Crawford