Citation | 10.1021/acs.jpca.0c01134 |
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Type | Mass-selected threshold photoelectron spectrum |
Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
T / K | 750 |
Source | Pyrolysis |
Resolution / meV | 5 |
Flux normalization | no |
Comments | Sample (phenyl azide) dilluted in 1-2 bar (abs.) argon, expansion through a 100 um pinhole and subsequent pyrolysis, mass resolution 200, field: 218 V/cm, i2PEPICO (CRF) setup |
Date & facility | 2019 Swiss Light Source |
Date entered | 2022-12-12 |
Citation | 10.1021/acs.jpca.0c01134 |
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Type | Franck-Condon simulation |
Further references | Gaussian G16 eZSpectrum |
T / K | 600 |
Level of theory | B3LYP/6-311G(2d,d,p) |
Convolution FWHM / meV | 35 |
0-0 transition / eV | 8.29 |
Comments | FC Simulation 8.29 eV (X+ 2B2) and 9.73 eV (a+ 4A1) |
Date & facility | 2019 PSI and Bochum Cluster |
Date entered | 2022-12-12 |