Open Access
Table A.1
Gaussian parameters used in SynthIceSpec
| Molecule | Position (cm−1) | Position (μm) | FWHM (cm−1) | Gaussian intensity (cm/molecule) | Mode | Reference |
|---|---|---|---|---|---|---|
| H2O | 3239.8 | 3.1 | 222.9 | 1.2E-16 | O-H stretch | Öberg et al. (2007) |
| H2O | 3398.6 | 2.9 | 207.9 | 6.9E-17 | O-H stretch | Öberg et al. (2007) |
| H2O | 3408.4 | 2.9 | 355.3 | 2.4E-17 | O-H stretch | Öberg et al. (2007) |
| H2O | 3667.0 | 2.7 | 20.9 | 3.3E-19 | Dangling O-H | Öberg et al. (2007) |
| H2O | 3688.0 | 2.7 | 23.5 | 3.3E-19 | Dangling O-H | Öberg et al. (2007) |
| H2O | 1660.0 | 6.0 | 160.0 | 1.0E-17 | O-H bending | Öberg et al. (2007) |
| H2O | 765.0 | 13.1 | 246.0 | 1.2E-18 | Libration | Öberg et al. (2007) |
| CO | 2140.0 | 4.7 | 5.0 | 1.1E-17 | C-O stretch | Gerakines et al. (1995) |
| CO2 | 2343.0 | 4.2 | 18.0 | 7.6E-17 | C-O stretch | Gerakines et al. (1995) |
| CO2 | 660.0 | 15.1 | 18.0 | 1.2E-17 | C-O bending | Gerakines et al. (1995) |
| CH4 | 3010.0 | 3.3 | 7.0 | 7.0E-18 | C-H stretch | Hudgins et al. (1993) |
| CH4 | 1302.0 | 7.6 | 8.0 | 7.0E-18 | C-H bending | Hudgins et al. (1993) |
| CH3OH | 3250.0 | 3.1 | 235.0 | 1.1E-16 | O-H stretch | Carrascosa et al. (2023) |
| CH3OH | 2982.0 | 3.3 | 100.0 | 2.1E-17 | C-H stretch | Carrascosa et al. (2023) |
| CH3OH | 2828.0 | 3.5 | 30.0 | 8.0E-18 | C-H stretch | Carrascosa et al. (2023) |
| CH3OH | 1460.0 | 6.8 | 90.0 | 1.0E-17 | C-H bending | Carrascosa et al. (2023) |
| CH3OH | 1130.0 | 8.8 | 34.0 | 1.4E-18 | CH3 rocking | Carrascosa et al. (2023) |
| CH3OH | 1030.0 | 9.7 | 29.0 | 1.4E-17 | C-O stretching | Carrascosa et al. (2023) |
| CH3OH | 700.0 | 14.3 | 200.0 | 1.6E-17 | torsion | Carrascosa et al. (2023) |
| NH3 | 3375.0 | 2.9 | 45.0 | 2.3E-17 | N-H stretch | Noble et al. (2013) |
| NH3 | 1630.0 | 6.1 | 60.0 | 5.0E-18 | N-H bending | Noble et al. (2013) |
| NH3 | 1070.0 | 9.3 | 70.0 | 1.7E-17 | Umbrella | Noble et al. (2013) |
| HCOOH | 1714.0 | 5.8 | 45.0 | 6.7E-17 | C=O stretch | Bouilloud et al. (2015) |
| HCOOH | 1650.0 | 6.0 | 69.0 | 6.7E-17 | Combination | Bouilloud et al. (2015) |
| HCOOH | 1387.0 | 7.2 | 37.0 | 3.6E-17 | C-H bending | Bouilloud et al. (2015) |
| HCOOH | 1211.0 | 8.2 | 64.0 | 2.8E-18 | C-O stretch | Bouilloud et al. (2015) |
| HNCO | 2240.0 | 4.6 | 56.0 | 7.8E-17 | C-O stretch | Fedoseev et al. (2016) |
| HCN | 2092.5 | 4.7 | 20.0 | 1.1E-17 | C-N stretch | Gerakines et al. (2022) |
| H2CO | 2992.0 | 3.3 | 17.0 | 1.2E-18 | Combination | Bouilloud et al. (2015) |
| H2CO | 2881.0 | 3.4 | 21.0 | 2.7E-18 | C-H2 stretch | Bouilloud et al. (2015) |
| H2CO | 2819.0 | 3.5 | 28.0 | 3.7E-18 | C-H2 stretch | Bouilloud et al. (2015) |
| H2CO | 1720.0 | 5.8 | 20.0 | 9.6E-18 | C=O stretch | Bouilloud et al. (2015) |
| H2CO | 1494.0 | 6.7 | 15.0 | 1.0E-18 | C-H2 scissoring | Bouilloud et al. (2015) |
| NH2CH2OH | 1610.0 | 6.2 | 45.0 | 4.6E-18 | N-H bending | Bossa et al. (2009) |
| NH2CH2OH | 1470.0 | 6.8 | 40.0 | 7.0E-18 | O-H bending | Bossa et al. (2009) |
| NH2CH2OH | 1390.0 | 7.2 | 15.0 | 2.5E-18 | torsion | Bossa et al. (2009) |
| NH2CH2OH | 1007.0 | 9.9 | 145.0 | 3.5E-17 | C-N stretch | Bossa et al. (2009) |
| HDO | 2457.0 | 4.1 | 120.7 | 4.3E-17 | O-D stretch | Aikawa et al. (2012) |
| 13CO | 2092.0 | 4.8 | 1.5 | 1.1E-17 | 13C-O stretch | Boogert et al. (2002) |
| CH3CHO | 1721.0 | 5.8 | 17.3 | 1.06E-17 | C=O stretching | Terwisscha van Scheltinga et al. (2018) |
| CH3CHO | 1347.0 | 7.4 | 13.1 | 2.7E-18 | C-H bending | Terwisscha van Scheltinga et al. (2018) |
| CH3CHO | 1122.0 | 8.9 | 12.4 | 1.7E-18 | CH3 rocking | Terwisscha van Scheltinga et al. (2018) |
| H2S | 2545.0 | 3.9 | 45.0 | 3.0E-17 | H-S stretching | Yarnall & Hudson (2022) |
| OCS | 514.0 | 19.4 | 18.2 | 1.8E-18 | C-S stretch | Hudgins et al. (1993) |
| OCS | 2025.0 | 4.9 | 22.5 | 1.5E-16 | C-S stretch | Hudgins et al. (1993) |
| CS2 | 1502.0 | 6.6 | 23.0 | 1.06E-16 | C-S stretch | Taillard et al. (2025a) |
| CS2 | 2145.0 | 4.6 | 32.8 | 2.09E-18 | C-S stretch | Taillard et al. (2025a) |
| S8 | 471.0 | 21.2 | 14.8 | 1.00E-19 | S-S stretch | Taillard et al. (2025a) |
| CH3SH | 2535 | 3.9 | 40 | 5.41E-18 | S-H stretch | Hudson & Gerakines (2018) |
| CH3CH2SH | 2528 | 3.9 | 40 | 4.2E-18 | S-H stretch | Hudson & Gerakines (2018) |
| SO2 | 1339.0 | 7.4 | 9.8 | 1.5E-17 | S-O stretch | Garozzo et al. (2008) |
| SO2 | 1149.0 | 8.7 | 8.7 | 2.2E-18 | S-O stretch | Garozzo et al. (2008) |
| SO | 1130.0 | 8.8 | 4.3 | 2.2E-18 | S-O stretch | Garozzo et al. (2008) |
Notes. Spectral data extracted from the Gaussian fitting of pure ice species, we list the molecule vibration mode, its wave number, position in microns, band width, band strength and reference associated.
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