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Database
| Aliases | Cyclopropadienylidene carbene c-C3H2 1,2-Cyclopropadiene Cyclopropan 1,3-Dien Cyclopropenylidene radical Cyclopropene-1,3-diylradical |
|---|---|
| Mass / amu | 38.05 |
| Sum formula | C3H2 |
| InChI | InChI=1S/C3H2/c1-2-3-1/h1-2H |
| CAS | 16165-40-5 |
| PubChem | 6432149 |
| Structure |  |
| AIE / eV | 9.17 |
| AIE comment | 10.1021/jp104019d |
| Citation | 10.1039/c6cp01068g |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.3082016 10.1016/j.nima.2009.08.069 |
| T / K | 740 |
| Source | Pyrolysis |
| Resolution / meV | 5 |
| Flux normalization | yes |
| Comments | Quadricyclane precursor (15°C) dilluted in Ar buffer gas (1.8 bar, abs.). Expanded through a 100 µm pinhole into a SiC pyrolysis reactor (740 K). electric field 120 V/cm, mass resolution 100. |
| Date & facility | 2015, PSI, SLS. |
| Date entered | 2023-01-09 |
| Citation | 10.1021/jp104019d |
|---|---|
| Type | Franck-Condon simulation |
| Further references | Gaussian 09, FCFit |
| T / K | 0 |
| Level of theory | B3LYP/6-311++g(d,p) |
| Convolution FWHM / meV | 25 |
| 0-0 transition / eV | 9.17 |
| Date & facility | 2010, Wuerzburg Cluster |
| Date entered | 2023-01-09 |