Citation | 10.1021/acs.jpca.2c06670 |
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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 | 5 |
Flux normalization | no |
Comments | Sample (anisole) dilluted at 1.5 bar in argon, 30 sccm frlow rate, expansion through a 150 um pinhole and subsequent pyrolysis, mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup |
Date & facility | Swiss Light Source 2022 |
Date entered | 2022-12-06 |
Citation | 10.1021/acs.jpca.2c06670 |
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Type | Franck-Condon simulation |
Further references | Gaussian 16 A03, eZSpectrum |
T / K | 1100 |
Level of theory | B3LYP/6-311++G(d,p) (TD) |
Convolution FWHM / meV | 25-50 |
0-0 transition / eV | 8.56 |
Comments | Sum of three simulations: 1A1 (8.56 eV), 3A2 (9.42 eV), 1A2 (9.76 eV), 3B2 (9.94 eV) |
Date & facility | PSI Merlin 6 Cluster 2022 |
Date entered | 2022-12-06 |