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Table B.1
Molecular species present in the simulation target at a time of 38.5 ps after sulfur track formation.
| Sum formula | m(u) | Ntrack | ΔNf | Structure/remark |
|---|---|---|---|---|
| With C | ||||
| CO | 28 | 68 | 0 | CO |
| CO2 | 44 | 110 | 11 | CO2 |
| CN | 26 | 3 | −2 | CN |
| CNO | 42 | 7 | 7 | CNO |
| CHNO | 43 | 9 | −5 | Cyanic acid |
| CH2 | 14 | 2 | −9 | Methylene |
| CH2O | 30 | 330 | −205 | Formaldehyde |
| CH2O2 | 46 | 7 | 7 | O2-CH2 |
| CH2O3 | 62 | 4 | 0 | Carbonic acid |
| CH3O | 31 | 51 | −45 | Methanyl |
| CH3O2 | 47 | 121 | 51 | OCH2-OH |
| CH3O3 | 63 | 6 | −1 | O2-CH2-OH |
| CH4O | 32 | 7 | −1 | Methanol |
| CH4O2 | 48 | 364 | 193 | Methanediol |
| CH4O3 | 64 | 4 | 2 | HC(OH)3 |
| CH5O2 | 49 | 7 | −4 | H2COH+H2O |
| S and others | ||||
| Cl | 35.5 | 1079 | −7 | Cl− ion |
| Na | 23.0 | 56339 | −6 | Na+ ion |
| S | 32.1 | 32 | 19 | Lone S |
| SO | 48.1 | 12 | 9 | Sulfur oxide |
| SO2 | 64.1 | 1276 | −94 | Sulfur dioxide |
| SO3 | 80.1 | 501 | 485 | Sulfite |
| SO4 | 96.1 | 26438 | −490 | Sulfate |
| HCl | 36.5 | 7 | 7 | Hydrochloric acid |
| HS | 33.1 | 15 | −17 | HS |
| NaO | 39.0 | 1 | 1 | Sodium oxide |
| NaOH | 40.0 | 5 | 5 | Sodium hydroxide |
| HSO2 | 65.1 | 20 | 18 | Protonated SO2 |
| HSO3 | 81.1 | 61 | 60 | Protonated SO3 |
| HSO4 | 97.1 | 33 | −4 | Protonated SO4 |
| H2SO2 | 66.1 | 5 | 5 | Protonated SO2 |
| H2SO3 | 82.1 | 12 | 12 | Sulfurous acid |
| H2SO4 | 98.1 | 1 | 1 | Sulfuric acid |
| H3SO3 | 83.1 | 3 | 3 | Protonated SO3 |
| CNSO4 | 122.1 | 7 | 0 | SO4-CN |
| CH2SO4 | 110.1 | 6 | −7 | SO4-CH2 |
| CH2SO5 | 126.1 | 60 | 6 | SO4-CH2O |
| CH2S2O8 | 206.2 | 4 | 0 | SO4-CH2-SO4 |
| CH3SO5 | 127.1 | 92 | 2 | SO4-CH2-OH |
| CH4SO5 | 128.1 | 5 | −1 | SO4-CH2-H2O |
| C2H5SO6 | 157.1 | 1 | 1 | Organosulfate |
| With N | ||||
| NH2 | 16 | 5 | 4 | |
| NH3 | 17 | 21 | −5 | Ammonia |
| With OH | ||||
| H | 1 | 169 | 54 | Proton H+ |
| H2 | 2 | 330 | 330 | Hydrogen molecules |
| O2− | 16 | 32 | 32 | Oxid ion |
| OH | 17 | 1212 | 979 | OH− |
| H2O | 18 | 269170 | −1283 | H2O |
| H3O | 19 | 567 | 135 | H3O+ |
| O2 | 32 | 7767 | 130 | Oxygen molecules |
| O2H | 33 | 65 | 11 | Hydroperoxyl |
| H2O2 | 34 | 227 | −69 | H2O2 |
| H3O2 | 35 | 17 | 12 | H2O+OH |
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