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

June 23rdJPL Spectral Line Catalog New Catalog Additions 2008/04/ ClClOO * 2008/03/ cis-HC-13-OO * 2008/03/ cis-HCOOD * 2008/03/ cis-DCOOH * 2008/03/ HCOOD * 2008/03/ DCOOH * 2008/03/ HC-13-OOH * 2008/03/ CH3Cl * 2008/03/ CH3Cl * 2008/03/ CaS 382 1* 2008/03/ CH3COCH * 2008/03/ CH3OH * 2007/07/ H2O * 2007/06/ C3H6O * 2007/03/ D13CO+ 40 1* 2007/03/ HCO+ v=0,1, * 2007/02/ NaO * 2007/02/ S * 2007/02/ S * 2007/01/ C2H3CN * 2006/11/ C3H * 2006/07/ HOCl * 2006/07/ HOCl * HITRAN species in red Atmospheric species in blue

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.

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

June 23rdJPL Spectral Line Catalog Water Dipole Why are results changing? previously, JPL used a value of D The current value used in the JPL compilation is 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  (45) 0.02 [-0.80] (1-0) 2  (81) 0.01 [-0.77] (0-1) 2  (32) 0.02 [-0.86] 0.04 _________________________________________________________  (11) [-0.63]  (17) [-0.64]  (110) 0.23 [-0.81]  (15) 0.10 [-0.97] 0.16 _______________________________________________________________________ a. S. A. Clough, Y. Beers, G. P. Klein, L.S. Rothman, (1973), J. Chem. Phys. 59, , T. R. Dyke and J. S. Muenter, (1973), J. Chem. Phys, 59,

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)

June 23rdJPL Spectral Line Catalog Methanol Update Based on Li-Hong Xu, J. T. Hougen, J. Mol. Spectrosc. 173 (1995) 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 = where Q v (300 K) = No attempts to correct  a,  b for torsion

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) = –CH 3 35 Cl Q rv (300 K) = –CH 3 37 Cl Q rv (300 K) =

June 23rdJPL Spectral Line Catalog Propane Acetone –ErHAM analysis to 600 GHz –P. Groner, et al. Ap. J. Supp.142 (2002) –S converted to I ab using Q rtv = Chloryl Chloride Propane Acetone Chloryl Chloride –Measurements to 400 GHz –HSP Muller, EA Cohen, 1999 J.Chem.Phys. 110, –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) (2006). Acetone Chloryl Chloride

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

June 23rdJPL Spectral Line Catalog New Apparatus for Linewidth Measurements K

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

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

June 23rdJPL Spectral Line Catalog CO Broadening J = Γ = γ 296 P(296/T) n n γ 296 (MHz/Torr) He ± ± H2H ± ± CO ± ± N2N ± ± O2O ± ± CO1.691 ± ± 0.032

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

June 23rdJPL Spectral Line Catalog Water Spectra at 22 K

June 23rdJPL Spectral Line Catalog Water broadening J = 1

June 23rdJPL Spectral Line Catalog Water broadening J = 1 Γ = γ 296 P(296/T) n n γ 296 (MHz/Torr) He ± ± H2H ± ± CO ± ± N2N ± ± O2O ± ±

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

June 23rdJPL Spectral Line Catalog Example: isotope ratios

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