About
Database
| Mass / amu | 15.03 |
|---|---|
| Sum formula | CH3 |
| InChI | InChI=1S/CH3/h1H3 |
| CAS | 2229-07-4 |
| PubChem | 3034819 |
| Structure |  |
| AIE / eV | 9.84 |
| VIE / eV | 9.84 |
| AIE comment | 10.1021/j100062a009 |
| Citation | 10.1016/j.combustflame.2022.112547 |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
| T / K | 1500 |
| Source | Pyrolysis |
| Resolution / meV | 20 |
| Flux normalization | yes |
| Comments | Sample (2,4,4-trimethyl-2-pentene) diluted in argon (0.05 %) expansion through a 100 μm pinhole and subsequent pyrolysis (1500 K), mass resolution 200, field: 213 V/cm, i2PEPICO setup (CRF) |
| Date & facility | 2017/2018 & SLS/VUV |
| Date entered | 2022-09-19 |
| Citation | 10.1016/j.combustflame.2022.112547 |
|---|---|
| Type | Photoionization spectrum |
| Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
| T / K | 1500 |
| Source | Pyrolysis |
| Resolution / meV | 20 |
| Flux normalization | yes |
| Comments | Sample (2,4,4-trimethyl-2-pentene) diluted in argon (0.05 %) expansion through a 100 μm pinhole and subsequent pyrolysis (1500 K), mass resolution 200, field: 213 V/cm, i2PEPICO setup (CRF) |
| Date & facility | 2017/2018 & SLS/VUV |
| Date entered | 2022-09-19 |
| Type | Franck-Condon simulation |
|---|---|
| Further references | Program: Gaussian 16rev. A.03 suite |
| T / K | 500 |
| Level of theory | B3LYP/6-31G(d,p) |
| Convolution FWHM / meV | 25 |
| 0-0 transition / eV | 9.79 |
| Comments | FC simulation of methyl radical ground state |
| Date & facility | 2021/03 & PSI Merlin 6 |
| Date entered | 2022-09-19 |