Photo double ionization spectra of CO: comparison of theory with experiment
2004
High level ab initio calculations have been undertaken of potential energy curves of CO2+ (and for the CO neutral ground state). The accuracy of the potentials was tested by a synthesis of the available vibrationally resolved threshold photoelectrons in coincidence (TPEsCO) and time of flight, photo electron photo electron coincidence (TOF-PEPECO) spectra of CO2+. Good agreement was found between experimental and theoretical spectra once relative energies of the calculated double ionization energies were slightly adjusted (by approximately 1%) to match experiment. Vibrational separations within individual electronic states are very well reproduced (the worst error is 0.07%).
Keywords:
- Correction
- Source
- Cite
- Save
- Machine Reading By IdeaReader
46
References
37
Citations
NaN
KQI