PSI VUV About Database

ms-TPES 7.3-8 eV

Citation 10.1021/acs.jpca.4c05855
Type Mass-selected threshold photoelectron spectrum
Further references 10.1063/1.4984304
10.1016/j.nima.2009.08.069
T / K 800
Source Pyrolysis
Resolution / meV 10
Flux normalization no
Comments Sample (N-nitrosocarbazole) heated to 50 °C, diluted at 150 mbar in He, 10-20 sccm flow rate, expansion through a 150 μm pinhole and subsequent pyrolysis, mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup.
Date & facility 2023, SLS
Date entered 2024-10-29
MS, PH

FC Simulation

Citation 10.1021/acs.jpca.4c05855
Type Franck-Condon simulation
Further references Gaussian 16 A.03
T / K 800
Level of theory M06-2X/6-311++G**
Convolution FWHM / meV 25
0-0 transition / eV 7.61
Comments Simulation shifted to the experimental fundamental transition (7.61 eV)
Date & facility 2024, Bochum
Date entered 2024-10-29
MS, PH