Citation | 10.1002/cphc.202100537 |
---|---|
Type | Mass-selected threshold photoelectron spectrum |
Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
T / K | 298 |
Source | Photolysis 213 nm |
Resolution / meV | 5 |
Flux normalization | No |
Comments | Sample (NCl3 in CH2Cl2, 20 wt%) flow: 14 sccm Ar flow to dilute sample: 20 sccm Fuel flow: 20 sccm Argon flow: 20 sccm Side sampled photolysis reactor. Further details available in 10.1002/cphc.202100537 213 V/cm field. |
Date & facility | 2020 SLS VUV |
Date entered | 2020-12-12 |
Citation | 10.1002/cphc.202100537 |
---|---|
Type | Franck-Condon simulation |
Further references | Gaussian 09, Revision E.01 ezSpectrum |
T / K | 298 |
Level of theory | CCSD(T)/aug-cc-pVDZ |
Convolution FWHM / meV | 5 |
0-0 transition / eV | 9.94 |
Comments | Calculated adiabatic IE was 9.94 eV. FC-Simulation allowed quanta up to 8. |
Date & facility | 2020 Wuerzburg |
Date entered | 2021-09-14 |
Citation | 10.1002/cphc.202100537 |
---|---|
Type | Franck-Condon simulation |
Further references | Gaussian 09, Revision E.01 ezSpectrum |
T / K | 298 |
Level of theory | CCSD(T)/aug-cc-pVDZ |
Convolution FWHM / meV | 5 |
0-0 transition / eV | 9.94 |
Comments | Calculated adiabatic IE was 9.94 eV. FC-Simulation allowed quanta up to 8. |
Date & facility | 2020 Wuerzburg |
Date entered | 2021-09-14 |