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Table 1

Experimental appearance energy for the dication from singly charged CN-PAHs (AE2+), as well as their calculated adiabatic ionization energies (AIE2+) and vertical ionization energies (VIE2+).

Species Formula AE2+ (eV) AIE2+ (eV) VIE2+ (eV)
9-CN-Ant+ C14H9CN+ 12.2(2) 12.0(3) 12.0(3)
9-CN-AntH+ C14H9CNH+ 12.2(2) 11.3(3) 11.5(3)
9-CN-Phen+ C14H9CN+ 12.2(2) 12.4(3) 12.5 (3)
9-CN-PhenH+ C14H9CNH+ 12.0(2) 11.4(3) 11.7(3)

Notes. The estimated uncertainties of 0.2 and 0.3 eV for the experimental AEs and calculated IEs, respectively, are given in parenthesis.

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