PSI VUV About Database

ms-TPES propargyl 7.8-10.2 eV

Citation 10.1016/j.combustflame.2022.112547
Type Mass-selected threshold photoelectron spectrum
Further references 10.1063/1.4984304
10.1016/j.nima.2009.08.069
T / K 1500
Source Pyrolysis
Resolution / meV 20
Flux normalization Yes
Comments Sample (2,4,4-trimethyl-2-pentene) dilluted in argon
(0.05 %) expansion through a 100 um pinhole and subsequent pyrolysis (1500 K), mass resolution 200, field: 213 V/cm, i2PEPICO setup (CRF)
Date & facility Swiss Light Source 2017/2018
Date entered 2022-12-07
PH

FC simulation

Citation 10.1016/j.chemphys.2010.07.030
Type Franck-Condon simulation
Further references MOLPRO version 2009
T / K 0
Level of theory (U)CCSD(T*)-F12a
Convolution FWHM / meV 25
0-0 transition / eV 8.71
Date & facility Swiss Light Source 2017/2018
Date entered 2022-12-07
PH