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A Vacuum Ultraviolet Photoionization Mass Spectrometric Study of Acetone
32
Citations
22
References
2005
Year
EngineeringComputational ChemistryChemistryElectronic Excited StateSpectrochemical AnalysisChemical EngineeringPhoton Energy RangePhotocatalysisAnalytical ChemistryPhotophysical PropertyPhotochemistryMechanistic PhotochemistryPhysical ChemistryQuantum ChemistryDissociation ChannelsPhotochromismUv-vis SpectroscopyPhotoionization Efficiency SpectraNatural SciencesSpectroscopyMass SpectrometryChemical KineticsSpectroscopic Method
The photoionization and dissociative photoionization of acetone have been studied at the photon energy range of 8-20 eV. Photoionization efficiency spectra for ions CH3COCH3+, CH3+, C2H3+, C3H3+, C3H5+, CH(2-)CO+, CH3CO+, C3H4O+, and CH3COCH2+ have been measured. In addition, the energetics of the dissociative photoionization has been examined by ab initio Gaussian-3 (G3) calculations. The computational results are useful in establishing the dissociation channels near the ionization thresholds. With the help of G3 results, the dissociation channels for the formation of the fragment ions CH3CO+, CH2CO+, CH3+, C3H3+, and CH3COCH2+ have been established. The G3 results are in fair to excellent agreement with the experimental data.
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