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Database
| Aliases | 2-cyclopentenone cyclopent-2-enone cyclopent-2-en-1-one cyclopentenone cyclopenten-3-one 2-cyclopentene-1-one |
|---|---|
| Mass / amu | 82.1 |
| Sum formula | C5H6O |
| InChI | InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2 |
| CAS | 930-30-3 |
| PubChem | 13588 |
| Structure |  |
| AIE / eV | 9.34 |
| AIE comment | DOI: 10.1039/D1SC00654A |
| Citation | 10.1039/D1SC00654A |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
| T / K | 779 |
| Source | 2-Cyclopenten-1-one catalytic pyrolysis |
| Resolution / meV | 20 |
| Flux normalization | no |
| Comments | 2-Cyclopenten-1-one catalytic pyrolysis using HZSM-5 as a catalyst in a quartz glass reactor |
| Date & facility | 2022.09 & SLS/VUV |
| Date entered | 2022-09-15 |
| Citation | 10.1039/D1SC00654A |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.4984304 10.1016/j.nima.2009.08.069 |
| T / K | 779 |
| Source | 2-Cyclopenten-1-one catalytic pyrolysis |
| Resolution / meV | 20 |
| Flux normalization | no |
| Comments | 2-Cyclopenten-1-one catalytic pyrolysis using HZSM-5 as a catalyst in a quartz glass reactor |
| Date & facility | 2022.09 & SLS/VUV |
| Date entered | 2022-09-15 |
| Citation | 10.1039/D1SC00654A |
|---|---|
| Type | Franck-Condon simulation |
| Further references | Program: Gaussian 16rev. A.03 suite |
| T / K | 50 |
| Level of theory | B3LYP/6-31G(d,p) |
| Convolution FWHM / meV | 37 |
| 0-0 transition / eV | 8.85 |
| Comments | FC simulation of 2-Cyclopenten-1-one ground state |
| Date & facility | 2022.09 & PSI Merlin 6 |
| Date entered | 2022-09-15 |