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Database
| Aliases | Bicyclopentadiene Biscyclopentadiene Cyclopentadiene dimer Dicyklopentadien Dimer cyklopentadienu |
|---|---|
| Mass / amu | 132.2 |
| Sum formula | C10H12 |
| InChI | InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2 |
| CAS | 77-73-6 |
| PubChem | 6492 |
| Structure |  |
| VIE / eV | 8.7 |
| VIE comment | 10.1039/D1SC00654A |
| Citation | 10.1039/D1SC00654A |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
| T / K | 294 |
| Source | effusive |
| Resolution / meV | 20 |
| Flux normalization | no |
| Comments | Dicyclopentaidene in an effusive inlet. |
| Date & facility | 2020/06 & SLS/VUV |
| Date entered | 2022-09-19 |
| Type | Franck-Condon simulation |
|---|---|
| Further references | Program: Gaussian 16rev. A.03 suite |
| T / K | 50 |
| Level of theory | B3LYP/6-31G(d,p) |
| Convolution FWHM / meV | 12 |
| 0-0 transition / eV | 7.75 |
| Comments | FC simulation of dicyclopentadiene ground state |
| Date & facility | 2021/03 & PSI Merlin 6 |
| Date entered | 2022-09-19 |