PSI VUV About Database

ms-TPES 8.4-8.9 eV

Citation 10.1021/acs.jpclett.2c03216
Type Mass-selected threshold photoelectron spectrum
Further references 10.1063/1.4984304
10.1016/j.nima.2009.08.069
T / K 1023
Source Pyrolysis
Resolution / meV 5
Flux normalization no
Comments Sample (1,3-dinitrobenzene) heated to 80 °C dilluted at 300-500 mbar in argon, expansion through a 100 μm pinhole and subsequent pyrolysis, mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup
Date & facility Swiss Light Source 2022
Date entered 2020-12-12
PH

FC Simulation 2A1 state

Citation 10.1021/acs.jpclett.2c03216
Type Franck-Condon simulation
Further references Gaussian 16 eZSpectrum
T / K 300
Level of theory uBLYP/cc-pVTZ
Convolution FWHM / meV 25
0-0 transition / eV 8.65
Date & facility Merlin 6 PSI
Date entered 2022-12-09
PH