PSI VUV About Database

Ground state spectrum ms-TPES methyl

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 2017/2018 & SLS/VUV
Date entered 2022-09-19
PH

Ground state spectrum PIS methyl

Citation 10.1016/j.combustflame.2022.112547
Type Photoionization 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 2017/2018 & SLS/VUV
Date entered 2022-09-19
PH

X+ ground state simulation

Type Franck-Condon simulation
Further references Program: Gaussian 16rev. A.03 suite
T / K 500
Level of theory B3LYP/6-31G(d,p)
Convolution FWHM / meV 25
0-0 transition / eV 9.79
Comments FC simulation of methyl radical ground state
Date & facility 2021/03 & PSI Merlin 6
Date entered 2022-09-19
ZP