Table A.1
Gaussian parameters used in SynthIceSpec
| Molecule | Position | Position | Gaussian intensity | FWHM | Mode | Composition | Reference |
|---|---|---|---|---|---|---|---|
| (cm−1) | (µm) | (cm/molecule) | (cm−1) | ||||
| Major ice components | |||||||
| H2O | 3702.6 | 2.7 | 6.7 × 10−20 | 11.3 | Dangling OH | H2O:CH3OH:CO2 (9:1:2) | a |
| H2O | 3654.3 | 2.7 | 8.9 × 10−19 | 91.1 | Dangling OH | H2O:CH3OH:CO2 (9:1:2) | a |
| H2O | 3442.7 | 2.9 | 1.3 × 10−17 | 179.1 | O-H stretch | H2O:CH3OH:CO2 (9:1:2) | a |
| H2O | 3283.9 | 3.0 | 1.1 × 10−17 | 227.6 | O-H stretch | H2O:CH3OH:CO2 (9:1:2) | a |
| H2O | 3273.9 | 3.0 | 6.0 × 10−17 | 298.5 | O-H stretch | H2O:CH3OH:CO2 (9:1:2) | a |
| H2O | 1655.0 | 6.0 | 7.8 × 10−17 | 160.0 | Libration | H2O:CS2 (7:1) | b |
| CO | 2137.5 | 4.6 | 1.1 × 10−17 | 7.9 | C–O stretch | H2O:CO(4:1) | c |
| CO2 | 2350.0 | 4.2 | 2.8 × 10−17 | 11.4 | C–O stretch | H2O:CH3OH:CO2 (9:1:2) | a |
| CO2 | 2345.0 | 4.2 | 3.1 × 10−17 | 16.4 | C–O stretch | H2O:CH3OH:CO2 (9:1:2) | a |
| CH3OH | 3250.0 | 3.0 | 1.1 × 10−16 | 235.0 | C-H stretch | H2O:CH3OH:CO2 (9:1:2) | a |
| CH3OH | 3005.0 | 3.3 | 1.1 × 10−17 | 100.0 | C-H stretch | H2O:CH3OH:CO2 (9:1:2) | a |
| CH3OH | 2833.5 | 3.5 | 6.0 × 10−18 | 38.9 | C-H stretch | H2O:CH3OH:CO2 (9:1:2) | a |
| CH3OH | 2610.0 | 3.8 | 0.6 × 10−18 | 35.2 | Combination | H2O:CH3OH:CO2 (9:1:2) | a |
| CH3OH | 2530.0 | 3.9 | 0.8 × 10−16 | 141.0 | Combination | H2O:CH3OH:CO2 (9:1:2) | a |
| Additional relevant ice components | |||||||
| CH4 | 1303.0 | 7.6 | 6.0 × 10−18 | 9.4 | C-H bending | H2O:CH3 (20:1) | d |
| NH3 | 1642.0 | 6.0 | 2.9 × 10−18 | 58.7 | N-H bending | H2O:NH3 (15:1) | e |
| NH3 | 1693.0 | 5.9 | 2.8 × 10−18 | 63.4 | N-H bending | H2O:NH3 (15:1) | e |
| HCOOH | 1708.0 | 5.8 | 2.7 × 10−17 | 38.0 | C=O stretching | H2O:HCOOH (91:9) | f |
| HCOOH | 1636.0 | 6.1 | 2.7 × 10−17 | 70.0 | Combination | H2O:HCOOH (91:9) | f |
| HCOOH | 1391.0 | 7.1 | 0.7 × 10−17 | 35.0 | C-H bending | H2O:HCOOH (91:9) | f |
| HCOOH | 1211.0 | 8.5 | 2.0 × 10−18 | 64.0 | C–O stretching | H2O:HCOOH (91:9) | f |
| H2CO | 1496.0 | 6.7 | 4.0 × 10−18 | 11.0 | C-H2 scissoring | H2O:H2CO (100:3) | ɡ |
| H2CO | 1719.0 | 5.8 | 9.6 × 10−18 | 20.0 | C=O stretching | H2O:H2CO (100:3) | ɡ |
| H2CO | 2822.0 | 3.5 | 4.1 × 10−18 | 37.0 | C-H2 stretching | H2O:H2CO (100:3) | ɡ |
| CH3CHO | 1717.0 | 5.8 | 3.1 × 10−19 | 18.8 | C=O stretching | H2O:CH3CHO (20:1) | h |
| CH3CHO | 1350.0 | 7.4 | 8.9 × 10−20 | 9.4 | C-H bending | H2O:CH3CHO (20:1) | h |
| sulphur species | |||||||
| H2S | 2547.7 | 3.9 | 3.7 × 10−17 | 64.1 | H-S stretch | H2O:H2S (100:7.5) | i |
| OCS | 2047.0 | 4.9 | 1.2 × 10−16 | 23.2 | C–S stretch | H2O:OCS (20:1) | d |
| CS2 | 1536.7 | 6.5 | 1.1 × 10−17 | 8.43 | C–S stretch | H2O:CS2 (7:1) | b |
| CS2 | 1528.3 | 6.5 | 2.7 × 10−17 | 19.9 | C–S stretch | H2O:CS2 (7:1) | b |
| CS2 | 1523.6 | 6.5 | 1.0 × 10−16 | 45.4 | C–S stretch | H2O:CS2 (7:1) | b |
| SO2 | 1326.0 | 7.5 | 2.0 × 10−17 | 9.4 | S–O stretch | H2O:SO2 (5:1) | |
| SO2 | 1331.0 | 7.5 | 1.6 × 10−17 | 5.4 | S–O stretch | H2O:SO2 (5:1) | j |
| SO2 | 1149.0 | 8.7 | 7.3 × 10−18 | 8.7 | S–O stretch | H2O:SO2 (5:1) | j |
Notes. Gaussian parameters used in SynthIceSpec to fit every single IR feature for each species, appearing in the spectra presented in Sect. 3.3, for an ice composition of the major ice species overlapping with S-bearing species. The reference laboratory spectra used to fit each Gaussian are as follows: a. Ehrenfreund et al. (1999), b. Martín-Doménech (2024), c. Bouwman et al. (2007), d. Hudgins et al. (1993), e. Private communication (E. Dartois), f. Bisschop et al. (2007), ɡ. Schutte et al. (1993), h. Terwisscha van Scheltinga et al. (2018), i. Jiménez-Escobar & Muñoz Caro (2011), j. Schriver-Mazzuoli et al. (2003).
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