About
Database
| Mass / amu | 106.15 |
|---|---|
| Sum formula | C7H8N |
| InChI | InChI=1S/C7H8N/c1-6-3-4-8-7(2)5-6/h3-5H,2H2,1H3 |
| Structure |  |
| AIE / eV | 7.54 |
| AIE comment | 10.1002/cphc.202300359 |
| Citation | 10.1002/cphc.202300359 |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
| T / K | 1090 |
| Source | Pyrolysis |
| Resolution / meV | 5 |
| Flux normalization | no |
| Comments | Aminomethyl methylpyridine precursor diluted with Ar. Pyrolysis using a SiC reactor. Mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup |
| Date & facility | 2021/12 SLS/VUV |
| Date entered | 2023-05-22 |
| Citation | 10.1002/cphc.202300359 |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
| T / K | 1175 |
| Source | Pyrolysis |
| Resolution / meV | 20 |
| Flux normalization | no |
| Comments | Aminomethyl methylpyridine precursor diluted with Ar. Pyrolysis using a SiC reactor. Mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup |
| Date & facility | 2021/12 SLS/VUV |
| Date entered | 2023-05-22 |
| Citation | 10.1002/cphc.202300359 |
|---|---|
| Type | Franck-Condon simulation |
| Further references | Gaussian 16, Revision C.01 |
| T / K | 300 |
| Level of theory | B3LYP/6-311++G(d,p) |
| Convolution FWHM / meV | 33 |
| 0-0 transition / eV | 7.54 |
| Date & facility | 2022/11 PSI, merlin6 cluster |
| Date entered | 2023-05-22 |