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Multi-wavelength Astronomy and the Virtual Observatory, Workshop @ ESAC, Spain, Dec. 1 − 3 , 2008

Multi-wavelength Astronomy and the Virtual Observatory, Workshop @ ESAC, Spain, Dec. 1 − 3 , 2008. The CDMS, a database for molecular line identification especially for Herschel, SOFIA, and ALMA. Holger S. P. Müller, J. Stutzki, S. Schlemmer. I. Physikalisches Institut Universität zu Köln

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Multi-wavelength Astronomy and the Virtual Observatory, Workshop @ ESAC, Spain, Dec. 1 − 3 , 2008

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  1. Multi-wavelength Astronomy and the Virtual Observatory,Workshop @ ESAC, Spain, Dec. 1−3, 2008 The CDMS, a database for molecular line identification especially for Herschel, SOFIA, and ALMA Holger S. P. Müller, J. Stutzki, S. Schlemmer I. Physikalisches Institut Universität zu Köln 50937 Cologne, Germany

  2. CF+J = 3 – 2 APEX CF+J = 2 – 1 IRAM 30m CF+J = 1 – 0 IRAM 30m CF+ toward the Orion Bar D. A. Neufeld et al., Astron. Astrophys.454 (2006) L37 Rest frequencies required for line identification!

  3. CDMS Main Page Please bookmark as http://www.astro.uni-koeln.de/cdms/ Short-cut to CDMS main page: www.cdms.de

  4. CDMS catalog: basic facts • line lists of rotational spectra for molecules of interest in space • Hamiltonian model based on experimental data • separate entries for isotopologues and vibrational states • 486 different species; 228 detected in ISM or CSE • ~ 5 new or updated entries each month • ~ 1000 users each month • included in many advanced astronomy tools, e.g. for Herschel

  5. General

  6. general II

  7. general III

  8. Species tag.: mw5# Entries MHz Entry cm–1 Documentation Name/Formula

  9. Spectroscopic Parameters / MHz Entries are Based on Laboratory Data, e.g., CO Important: appropriate uncertainties

  10. CO entry Explanations with link to further details Frequency (MHz) Uncertainty (MHz) Elower (cm–1) Quantum numbers Intensity (nm2MHz) Species tag gup

  11. CO documentation

  12. Graphic Output for SO2 at 150K

  13. what’s new

  14. Reasons for an open sytem:newly detected molecules (2006–2008) • C4H–, C6H–, C8H–, C3N–, C5N– • HCP, CCP, PO, PH3 (?) • H2NCH2CN, NCCHO, H2C=C=CHCN • CF+, O2 • CH3C(O)NH2, c-H2C3O, H2C=CHCH3, CH3C6H

  15. Complex organic molecules: aminoacetonitrile • H2NCH2CN (a likely precursor of glycine, H2NCH2COOH) A. Belloche et al., Astron. Astrophys.482 (2008) 179

  16. Complex organic molecules: vinyl cyanide • C2H3CN, v = 0, + 13C, + 15N H.S.P. Müller et al., J. Mol. Spectrosc.251 (2008) 319

  17. Reasons for an open system:missing or insufficient data Note: accurate rest frequencies etc are needed not only for desired species, but also for possibly interfering species • somewhat problematic for Herschel & SOFIA (light hydride species, small molecules, methanol . . .) • severe problem for ALMA ! (many simple or complex molecules, minor isotopologues, excited vibrational states)

  18. Detection of 13CH+J = 1 − 0 toward G10.6−0.4 with the CSO CH3OH 13CH+ no accurate 13CH+ lab data  no kinematic information E. Falgarone et al., ApJ634 (2005) L149

  19. HNCO in Sgr B2(N)v = 0, v5 = 1 (831 K), v6 = 1 (944 K), v4 = 1 (1117 K) previously in G10.47+0.03: Wyrowski et al; A&A 381 (1999) 882

  20. Reasons for an open system:lack of manpower • one person for creating entries etc. • no person for programing

  21. Problems related to multiple sources • which of two or more entries for one species is better ? the newer one ? the one with more/higher predictions/lab data ? the one with smaller uncertainties ? • quantum number assignments may be ambiguous ! Hund’s case a/b . . . (a-) symmetric coupling of nuclear spin moments (electronic-) vibration-rotation (spin) interaction

  22. Quantum number format N, Ka, Kc, v, F1, . . . F • strictly, only F is a good quantum number N, Ka, Kc, v are often meaningful, but . . . • Ka + Kc ±K for symmetric tops • half-integer quantum numbers are rounded up • meaning of v divers (vibrational, electronic state; isotopologue . . .)

  23. DFG (Deutsche Forschungsgemeinschaft) → 2006 • BMBF (Bundesministerium für Bildung und Forschung) Acknowledgments

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