1. A dynamic database of (currently 534834 2010-Jun-18) molecular model spectra for astronomers Jan Cami Andrew Markwick

5. 10 0 0–01 1 0 and 11 1 0 − 02 2 0 Same thing at ~ same time

6. > (Identify molecular species) Find & understand (!) line list Astronomical model: parameters? Radiative Transfer Convolve with instrumental profile Fit spectrum: determine parameters

7. g Her

8. BU And

9. Mira

10. Modeling results Optically thinOptically thick

11. HR 4049 : CO2

12. Grains in meteorite

20. In astronomy, finding parameters to within an order of magnitude is often good enough (models often necessarily simplified) ! Sometimes we don’t really care about the parameters – we just want to know the spectral signature. Applicable to many different astronomical observations!

21. The goal: To help people to: i)identify features in spectra ii) obtain first order estimates of temperature and column density from those features

22. perfect black box All possible molecular speciesWhat’s available All possible transitionsWhat’s available Full non-LTE radiative transfer Isotherm, LTE Various geometriesSlab All possible instruments On request sfsf

23. > Search Compare Download Request

26. View > Compare Download Request

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48. View Search Compare > Request

52. ** in the download you also get the emission spectrum!

55. View Search Compare Download >

58. For the interested… PHP/MySQL XML files on server Flash graph Javascript / Actionscript gateway UWO (calculations) UoM (service) currently ~ 40 15 minutes Stats for v2… 70 registered users ~ few hundred ‘actions’ per month so far

59. 39 molecules, 96 isotopologues 69 temperatures (10 – 2500 K) 101 column densities (10 14 – 10 24 cm -2 ) 10 instrument profiles ( = spectral resolutions) 534834 spectra, 0.3 – 3000 micron (100 GHz – 1 PHz) Spitzer-IRS LowRes1, LowRes2, HiRes ISO-SWS AOT1, speed1; IRTF-SpeX VLT-ISAAC LW MedRes, VLT-CRIRES Herschel-SPIRE, Herschel-PACS Gemini-Phoenix

60. 10 instrument profiles ( ~ spectral resolutions) Spitzer-IRS LowRes190 Spitzer-IRS LowRes2120 Spitzer-IRS HiRes600 ISO-SWS AOT1, speed1300 IRTF-SpeX2000 VLT-ISAAC LW MedRes10000 VLT-CRIRES100000 Herschel-SPIRE1000 Herschel-PACS1500 Gemini-Phoenix65000

61. Of course, none of this is possible without the line lists 3,584,261HITRAN04/08 (Rothman et al.) multiple 6,003,542HITEMP (Rothman et al.) CO, CO 2, H 2 O 3,147,603CDSD (Tashkun et al.) CO 2 279,028,856Partridge & Schwenke H 2 O ~100m Schwenke TiO 39,900 Goldman et al. OH 134,421 Goorvitch CO 93,372 Langhoff & Bauschlicher SiO 31,590 Cami, Bauschlicher, Markwick et al.SiS

62. ~ 142 molecules detected in space ~ 212 including isotopologues 42 molecules studied in earth atmosphere line lists available at 296 K (HITRAN) often infrared 7 molecules with “warm” line lists (that we have) H 2 O, OH, TiO, SiO, SiS, CO, CO 2 Large frequency range Many levels (electronic, vibrational, rotational) High temperatures

63. 63 Carbon star chemistry

65. Astronomers wish list: - More species (carbon)! - Higher temperatures/weak lines? - Partition functions!