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Database
| Aliases | o-quinomethane o-quinone methide 6-methylidenecyclohexa-2,4-dien-1one 6-methylene-2,4-cyclohexadien-1-one o-quinonemethide 2,4-cyclohexadien-1-one,6-methylene |
|---|---|
| Mass / amu | 106.12 |
| Sum formula | C7H6O |
| InChI | InChI=1S/C7H6O/c1-6-4-2-3-5-7(6)8/h2-5H,1H2 |
| CAS | 27890-67-1 |
| PubChem | 13265823 |
| Structure |  |
| AIE / eV | 8.8 |
| AIE comment | 10.1016/S0040-4039(01)94793-8 |
| Citation | 10.1039/C9CP01935A |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.3082016 10.1016/j.nima.2009.08.069 |
| T / K | 1075 |
| Source | pyroylsis reactor |
| Resolution / meV | 5 |
| Flux normalization | yes |
| Comments | Total 50 sccm Argon: 0.86 bar pressure at sample (o-methyl anisol) in a bubbler (RT). Concentration ca. 0.1%. Expansion through a 100 μm nozzle into the Chen-type pyrolyiss reactor. iPEPICO Experiment 120 V/cm. |
| Date & facility | May 2017/PSI/SLS/VUV Beamline |
| Date entered | 2026-02-27 |
| Citation | 10.1039/C9CP01935A |
|---|---|
| Type | Photoionization spectrum |
| Further references | 10.1063/1.3082016 10.1016/j.nima.2009.08.069 |
| T / K | 1075 |
| Source | pyroylsis reactor |
| Resolution / meV | 5 |
| Flux normalization | yes |
| Comments | Total 50 sccm Argon: 0.86 bar pressure at sample (o-methyl anisol) in a bubbler (RT). Concentration ca. 0.1%. Expansion through a 100 μm nozzle into the Chen-type pyrolyiss reactor. iPEPICO Experiment 120 V/cm. |
| Date & facility | May 2017/PSI/SLS/VUV Beamline |
| Date entered | 2026-02-27 |
| Citation | 10.1039/C9CP01935A |
|---|---|
| Type | Franck-Condon simulation |
| Further references | Program: Gaussian 16rev. A.03 suite eZSpectrum |
| T / K | 300 |
| Level of theory | B3LYP/6-311++G(d,p) |
| Convolution FWHM / meV | 40 |
| 0-0 transition / eV | 8.76 |
| Date & facility | 2017, PSI, Merlin Cluster |
| Date entered | 2026-02-27 |