About
Database
| Aliases | phosphorus monoxide oxidophosphorus |
|---|---|
| Mass / amu | 46.97 |
| Sum formula | PO |
| InChI | InChI=1S/OP/c1-2 |
| CAS | 14452-66-5 |
| PubChem | 6857426 |
| Structure |  |
| AIE / eV | 8.39 |
| AIE comment | 10.1039/F29827802077 |
| Citation | 10.1002/chem.201404271 |
|---|---|
| Type | Mass-selected threshold photoelectron spectrum |
| Further references | 10.1063/1.3082016 10.1016/j.nima.2009.08.069 |
| T / K | 1200 |
| Source | pyrolysis |
| Resolution / meV | 5 |
| Flux normalization | no |
| Comments | Sample (DMMP, Dimethyl methyl phosphonate) diluted at 400 mbar in argon, expansion through a 100 µm pinhole and subsequent pyroylsis, mass resolution 100, field: 120 V/cm, iPEPICO setup |
| Date & facility | 2015, SLS, PSI |
| Date entered | 2025-06-24 |
| Citation | 10.1002/chem.201404271 |
|---|---|
| Type | Franck-Condon simulation |
| Further references | pgopher https://pgopher.chm.bris.ac.uk |
| T / K | 1000 |
| Level of theory | B3LYP/6-311++G(d,p) |
| 0-0 transition / eV | 8.38 |
| Date & facility | 2015, PSI, SLS |
| Date entered | 2025-06-24 |