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Database
| Aliases | bicyclo[4.2.0]octa-1,3,5-triene benzocyclobutane bicyclo(4.2.0)octa-1,3,5-triene |
|---|---|
| Mass / amu | 104.15 |
| Sum formula | C8H8 |
| InChI | InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2 |
| CAS | 694-87-1 |
| PubChem | 69667 |
| Structure |  |
| AIE / eV | 8.65 |
| AIE comment | 10.1021/jp5085982 |
| Citation | 10.1021/jp5085982 |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.3082016 10.1016/j.nima.2009.08.069 |
| T / K | 300 |
| Source | effusive inlet |
| Resolution / meV | 5 |
| Flux normalization | no |
| Comments | mass resolution: 200, 120 V/cm extraction, effusive inlet system, 600 l/mm grating |
| Date & facility | 2014, SLS |
| Date entered | 2025-04-04 |
| Citation | 10.1021/jp5085982 |
|---|---|
| Type | Franck-Condon simulation |
| Further references | Gaussian 09 eZspectrum |
| T / K | 0 |
| Level of theory | B3LYP/6-311+G(d,p) |
| Convolution FWHM / meV | 19 |
| 0-0 transition / eV | 8.65 |
| Date & facility | 2014, Merlin PSI |
| Date entered | 2025-04-04 |