Citation | 10.1039/D3CP04064J |
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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 | 1100 |
Source | Pyrolysis |
Resolution / meV | 10 |
Flux normalization | no |
Comments | Sample (2-naphthyl azide at 45-50 °C) diluted at 100 mbar in He, 30 sccm flow rate, expansion through a 200 μm pinhole and subsequent pyrolysis, mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup. ms-TPES contains both 2- and 3-cyanoindene. |
Date & facility | 2022, SLS |
Date entered | 2024-10-29 |
Citation | 10.1039/D3CP04064J |
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Type | Franck-Condon simulation |
Further references | Gaussian 16 A.03 |
T / K | 1100 |
Level of theory | B3LYP-D3/def2-TZVP |
Convolution FWHM / meV | 25 |
0-0 transition / eV | 8.70 |
Comments | Simulation shifted to the experimental fundamental transition (8.70 eV). |
Date & facility | 2023 Bochum |
Date entered | 2024-10-29 |