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Table 1

Basic molecular data.

Molecule Formula Band a S lita Sourcec
[cm-1] [atm-1 cm-2] [atm-1 cm-2]

Acetylene C2H2 ν5 CH bending 729.1 630 816 H08
Carbon dioxide CO2 ν2 bending 667.4 200 249 H08
Hydrogen cyanide HCN ν2 bending 713.5 257 286 H08
Hydrogen isocyanide HNC ν2 bending 464.2 1570 798 G09
Methyl radical CH3 ν2 out-of-plane bending 606.5 611 616 FPH
Ethylene C2H4 ν7 CH2 waggling 949.2 324 320 G09
Ammonia NH3 ν2 symmetric bendng 950.0 568 614 H08
Sulphur dioxide SO2 ν2 bending 517.6 113 97 G09
Ethane C2H6 ν9 CH3 rocking 822.0 36 29 H08
Diacetylene/butadiyne C4H2 ν8 CH bending 627.9 437 229 G09
Benzene C6H6 ν4 CH bending 673.5 250 212 G09
Propyne/methyl acetylene C3H4 ν9 CH bending 638.6 360 201 G09
Cyanoacetylene/propynenitrile HC3N ν 5 663.4 278 94 G09
Methyl cyanide/acetonitrile CH3CN ν4 CC stretch 920.3 6 3 G09

Notes.

(a)

Central wavenumber of band and band strengths from Constants for molecules of astrophysical interest in the gas phase by J. Crovisier http://wwwusr.obspm.fr/~crovisie/basemole/.

(b)

Band strength of the simulated spectra. S = NL × τ(ν)δν  /  n (see Appendix A.1 Helmich 1996). Calculations were performed for T = 298 K, b = 20 km s-1 and n = 1 × 1015 cm-2 at a resolution of 3000 to keep all bands far from saturation.

(c)

H08: HITRAN 2008 (Rothman et al. 2009), G09: GEISA 2009 (Jacquinet-Husson et al. 2011) and FPH: Helmich (1996).

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