PSI VUV About Database

ms-TPES 8-15 eV

Citation 10.1021/jp5085982
Type Mass-selected threshold photoelectron spectrum
Further references 10.1063/1.3082016
10.1016/j.nima.2009.08.069
T / K 300
Source effusive inlet
Resolution / meV 5
Flux normalization no
Comments mass resolution: 200, 120 V/cm extraction, effusive inlet system, 600 l/mm grating
Date & facility 2014, SLS
Date entered 2025-04-04
PH

ms-TPES high resolution 8.7-11.5 eV

Citation 10.1021/jp5085982
Type Mass-selected threshold photoelectron spectrum
Further references 10.1063/1.3082016
10.1016/j.nima.2009.08.069
T / K 298
Source effusive inlet
Resolution / meV 2
Flux normalization no
Comments mass resolution: 200, 120 V/cm extraction, effusive inlet system, 600 l/mm grating
Date & facility 2014, SLS
Date entered 2025-04-04
PH

FC Simulation X+ 2B1

Citation 10.1021/jp5085982
Type Franck-Condon simulation
Further references Gaussian 09
eZSpectrum
T / K 0
Level of theory B3LYP/6-311+G(d,p)
Convolution FWHM / meV 19
0-0 transition / eV 8.81
Comments The baseline shift in the TPES due to autoionization (above 8.84 eV) was taken into account using a sigmoid function.
Date & facility 2014, Merlin PSI
Date entered 2025-04-04
PH

FC Simulation B+ 2B2

Citation 10.1021/jp5085982
Type Franck-Condon simulation
Further references Gaussian 09
eZSpectrum
T / K 0
Level of theory TD-B3LYP/6-311+G(d,p)
Convolution FWHM / meV 19
0-0 transition / eV 10.33
Date & facility 2014, Merlin PSI
Date entered 2025-04-04
PH

FC Simulation C+ 2B1

Citation 10.1021/jp5085982
Type Franck-Condon simulation
Further references Gaussian 09
eZSpectrum
T / K 0
Level of theory TD-B3LYP/6-311+G(d,p)
Convolution FWHM / meV 19
0-0 transition / eV 11.02
Date & facility 2014, Merlin PSI
Date entered 2025-04-04
PH