3,5-Lutidyl

ms-TPES 7.3-8.0 eV

Citation	10.1002/cphc.202300359
Type	Mass-selected threshold photoelectron spectrum
Further references	10.1063/1.4984304 10.1016/j.nima.2009.08.069
T / K	1020
Source	Pyrolysis
Resolution / meV	5
Flux normalization	no
Comments	Aminomethyl methylpyridine precursor diluted with Ar. Pyrolysis using a SiC reactor. Mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup
Date & facility	2022/10 SLS/VUV
Date entered	2023-05-22

Citation	10.1002/cphc.202300359
Type	Mass-selected threshold photoelectron spectrum
Further references	10.1063/1.4984304 10.1016/j.nima.2009.08.069
T / K	1020
Source	Pyrolysis
Resolution / meV	20
Flux normalization	no
Comments	Aminomethyl methylpyridine precursor diluted with Ar. Pyrolysis using a SiC reactor.
Date & facility	2021/12 SLS/VUV
Date entered	2023-05-22

Citation	10.1002/cphc.202300359
Type	Franck-Condon simulation
Further references	Gaussian 16, Revision C.01
T / K	300
Level of theory	B3LYP/6-311++G(d,p)
Convolution FWHM / meV	33
0-0 transition / eV	7.45
Comments	Used a methyl rotational transition state geometry of X ²A'' to avoid an artifactual spectrum in the FC simulation due to the methyl internal rotation.
Date & facility	2022/11 PSI, merlin6 cluster
Date entered	2023-05-22