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Abstract
The second ionization energy of β-picoline was determined from photoionization experiments as 2 IE β = (24.05 ± 0.1) eV and the threshold for the dehydrogenation of the dication generated by photoionization as AE(–H 2) β = (25.0 ± 0.2) eV. The second ionization energy is about 0.5 eV lower than values recently determined for α- and γ-picoline, whereas the energies required for dehydrogenation are similar. In order to rationalize the different behavior of dications generated from these isomeric picolines, we have performed a mass spectrometric investigation of the fragmentation patterns of the individual picoline dications and an extensive series of DFT calculations to explain the observed spectra.
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