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Database
| Mass / amu | 47 |
|---|---|
| Sum formula | CH2SH |
| InChI | InChI=1S/CH3S/c1-2/h2H,1H2 |
| CAS | 17032-46-1 |
| PubChem | 140171 |
| Structure |  |
| AIE / eV | 7.55 |
| Type | Mass-selected threshold photoelectron spectrum |
|---|---|
| Further references | 10.1063/1.3082016 10.1016/j.nima.2009.08.069 |
| T / K | 800 |
| Source | Pyrolysis |
| Resolution / meV | 20 |
| Flux normalization | No |
| Comments | The precursor S2(CH3)2 was pyrolysed and the newly created species were analysed. As a neutral species, this is higher in energy than its isomer CH3S. In the cation, it is lower in energy. Mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup |
| Date & facility | 2023 SLS VUV |
| Date entered | 2024-10-30 |
| Type | Franck-Condon simulation |
|---|---|
| Further references | The simulation was made with EzSpectrum. The calculations were performed with Gaussian16 on G4 niveau. |
| T / K | 300 |
| Level of theory | G4 |
| Convolution FWHM / meV | 25 |
| 0-0 transition / eV | 7.55 |
| Date & facility | 2024 Universität Würzburg |
| Date entered | 2024-10-30 |