Citation | 10.1021/jacs.7b06714 |
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Type | Mass-selected threshold photoelectron spectrum |
Further references | https://doi.org/10.1063/1.3082016 https://doi.org/10.1016/j.nima.2009.08.069 |
T / K | 900 |
Source | pyrolysis |
Resolution / meV | 5 |
Flux normalization | yes |
Comments | m-C8H8I2 precursor heated to 70 °C at 300 mbar Ar buffer gas. Expanded through a 100 µm pinhole into a SiC pyrolysis reactor. electric field 120 V/cm |
Date & facility | Swiss Light Source, VUV (x04db) beamline, 2015/2016/2017 |
Date entered | 2020-12-12 |
Citation | 10.1021/jacs.7b06714 |
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Type | Franck-Condon simulation |
Further references | Gaussian 09, eZspectrum, Q-chem |
T / K | 400 |
Level of theory | B3LYP/aug-cc-pVTZ |
Convolution FWHM / meV | 25 |
0-0 transition / eV | 7.25 |
Comments | spectrum shifted to fit experimental spectrum, first band X+ (2B1), second band A+(2A2) |
Date & facility | Paul Scherrer Institute Merlin 5/6 |
Date entered | 2021-10-19 |