multi-wavelength astronomy and the virtual observatory, workshop @ esac, spain, dec. 1 − 3 , 2008
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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 - PowerPoint PPT PresentationTRANSCRIPT
Multi-wavelength Astronomy and the Virtual Observatory,Workshop @ ESAC, Spain, Dec. 1 − 3, 2008
Holger S. P. Müller, J. Stutzki, S. Schlemmer
I. Physikalisches InstitutUniversität zu Köln
50937 Cologne, Germany
The CDMS, a database for molecular line identificationespecially for Herschel, SOFIA, and ALMA
CF+ toward the Orion Bar
CF+ J = 3 – 2 APEX
CF+ J = 2 – 1 IRAM 30m
CF+ J = 1 – 0 IRAM 30m
D. A. Neufeld et al., Astron. Astrophys. 454 (2006) L37
Rest frequencies required for line identification !
CDMS Main Page
Please bookmark as http://www.astro.uni-koeln.de/cdms/
Short-cut to CDMS main page: www.cdms.de
CDMS catalog: basic facts
line lists of rotational spectra for molecules of interest in space
Hamiltonian model based on experimental data
486 different species; 228 detected in ISM or CSE
separate entries for isotopologues and vibrational states
~ 1000 users each month
included in many advanced astronomy tools, e.g. for Herschel
~ 5 new or updated entries each month
General
general II
general III
EntriesSpecies tag.: mw5#Name/Formula MHz Entry cm–1Documentation
Entries are Based on Laboratory Data, e. g., CO
J"
Frequencya unc.b
o cb
0
115271 .2018
0.5
0.26
1
230538 .0000
0.5
0.03
2
345795 .9899
0.5
0.03
3
461040 .7682
0.5
0.15
4
576267 .9305
0.5
0.54
5
691473 .0763
0.5
0.27
6
806651 .806
5
5.19
7
921799 .700
5
3.88
8
1036912 .393
5
8.39
24
2870339 .407
13
3.51
25
2984181 .455
14
0.37
26
3097909 .361
17
5.36
29
3438364 .611
10
13.02
30
3551592 .361
10
14.97
32
3777635 .728
16
28.99
33
3890442 .717
13
20.86
35
4115605 .585
22
9.70
37
4340138 .112
43
49.47
a) in MHz. b) in kHz. G. Winnewisser et al., J. Mol. Spectrosc. 184, 468 472 (1997).
Parameter
Value
B
57635 .968041 (34)
D × 10 3
183 .50528 (37)
H × 10 9
172 .30 (53)
L × 10 15
256 (215)
Spectroscopic Parameters / MHz
Important:appropriate uncertainties
CO entryExplanations with link to further detailsFrequency (MHz)Uncertainty (MHz)Elower (cm–1)gupSpecies tagQuantum numbersIntensity (nm2MHz)
CO documentation
Graphic Output for SO2 at 150 K
what’s new
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
Complex organic molecules: aminoacetonitrile H2NCH2CN (a likely precursor of glycine, H2NCH2COOH) A. Belloche et al., Astron. Astrophys. 482 (2008) 179
C2H3CN, v = 0, + 13C, + 15N H. S. P. Müller et al., J. Mol. Spectrosc. 251 (2008) 319
Complex organic molecules: vinyl cyanide
Reasons for an open system:missing or insufficient data
Note: accurate rest frequencies etc are needednot 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)
Detection of 13CH+ J = 1 − 0 toward G10.6−0.4 with the CSO
E. Falgarone et al., ApJ 634 (2005) L149
CH3OH
13CH+
no accurate 13CH+ lab data no kinematic information
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
Reasons for an open system:lack of manpower
one person for creating entries etc.
no person for programing
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
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 . . .)
Acknowledgments
DFG (Deutsche Forschungsgemeinschaft) → 2006
BMBF (Bundesministerium für Bildung und Forschung)