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Database
| Aliases | 1H-inden-1-yl |
|---|---|
| Mass / amu | 115.15 |
| Sum formula | C9H7 |
| InChI | InChI=1S/C9H7/c1-2-5-9-7-3-6-8(9)4-1/h1-7H |
| CAS | 71551-80-9 |
| PubChem | 5374393 |
| Structure |  |
| AIE / eV | 7.53 |
| VIE / eV | 7.53 |
| AIE comment | 10.1021/jp9068569 |
| VIE comment | 10.1021/jp9068569 |
| Citation | 10.1021/jp9068569 |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.3082016 10.1016/j.nima.2009.08.069 |
| Source | Pyrolysis |
| Resolution / meV | 5 |
| Flux normalization | no |
| Comments | Pyrolysis of indenyl bromide precursor. Heated and expanded through a pinhole. Argon as buffer gas. |
| Date & facility | 2008/2009 Swiss Light Source PSI |
| Date entered | 2020-12-12 |
| Citation | 10.1002/cphc.201402446 |
|---|---|
| Type | Franck-Condon simulation |
| Further references | Gaussian 9, FCFit. |
| T / K | 0 |
| Level of theory | B3LYP/6-311++G(d,p) |
| Convolution FWHM / meV | 20 |
| 0-0 transition / eV | 7.53 |
| Comments | Simulation shifted to 7.53 eV |
| Date & facility | 2010 Uni Wuerzburg, Cluster Computer |
| Date entered | 2022-12-10 |
| Citation | 10.1002/cphc.201402446 |
|---|---|
| Type | Franck-Condon simulation |
| Further references | Gaussian 9, FCFit. |
| T / K | 0 |
| Level of theory | B3LYP/6-311++G(d,p) |
| Convolution FWHM / meV | 20 |
| 0-0 transition / eV | 8.10 |
| Comments | Simulation shifted to 8.10 eV |
| Date & facility | 2010 Uni Wuerzburg, Cluster Computer |
| Date entered | 2022-12-10 |