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| Aliases | dibenzo[fg,op]naphthacene dibenzo(e,l)pyrene 1,2:6,7-dibenzpyrene |
|---|---|
| Mass / amu | 302.4 |
| Sum formula | C24H14 |
| InChI | InChI=1S/C24H14/c1-2-8-16-15(7-1)19-11-5-13-21-17-9-3-4-10-18(17)22-14-6-12-20(16)24(22)23(19)21/h1-14H |
| CAS | 192-51-8 |
| PubChem | 9122 |
| Structure |  |
| AIE / eV | 7.4 |
| AIE comment | 10.1039/D3CC05371G |
| Citation | 10.1039/D3CC05371G |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
| T / K | 400 |
| Source | Effusive oven |
| Resolution / meV | 25 |
| Flux normalization | yes |
| Comments | Dibenzo[e,l]pyrene placed in effusive oven heated to about 400 K |
| Date & facility | July 2022 Swiss Light Source |
| Date entered | 2024-01-08 |
| Citation | 10.1039/D3CC05371G |
|---|---|
| Type | Franck-Condon simulation |
| Further references | eZ Spectrum, Gaussian 16 C01 |
| T / K | 300 |
| Level of theory | (TD)B3LYP/6-311++G(d,p) |
| 0-0 transition / eV | 7.40 |
| Date & facility | July 2022 Swiss Light Source |
| Date entered | 2024-01-08 |
| Citation | 10.1039/D3CC05371G |
|---|---|
| Type | Franck-Condon simulation |
| Further references | eZ Spectrum, Gaussian 16 C01 |
| T / K | 300 |
| Level of theory | (TD)B3LYP/6-311++G(d,p) |
| 0-0 transition / eV | 7.79 |
| Date & facility | July 2022 Swiss Light Source |
| Date entered | 2024-01-08 |
| Citation | 10.1039/D3CC05371G |
|---|---|
| Type | Franck-Condon simulation |
| Further references | eZ Spectrum, Gaussian 16 C01 |
| T / K | 300 |
| Level of theory | (TD)B3LYP/6-311++G(d,p) |
| 0-0 transition / eV | 8.21 |
| Date & facility | July 2022 Swiss Light Source |
| Date entered | 2024-01-08 |