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Database
| Aliases | allene-1-yl 2-propynyl |
|---|---|
| Mass / amu | 39.06 |
| Sum formula | C3H3 |
| InChI | InChI=1S/C3H3/c1-3-2/h1H,2H2 |
| CAS | 2932-78-7 |
| PubChem | 137767 |
| Structure |  |
| AIE / eV | 8.7 |
| AIE comment | 10.1063/1.4818982 |
| 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 | Swiss Light Source 2017/2018 |
| Date entered | 2022-12-07 |
| Citation | 10.1016/j.chemphys.2010.07.030 |
|---|---|
| Type | Franck-Condon simulation |
| Further references | MOLPRO version 2009 |
| T / K | 0 |
| Level of theory | (U)CCSD(T*)-F12a |
| Convolution FWHM / meV | 25 |
| 0-0 transition / eV | 8.71 |
| Date & facility | Swiss Light Source 2017/2018 |
| Date entered | 2022-12-07 |