In this state-of-the-art quantum-chemical investigation we report structures, thermochemical stabilities, Born-Fajans-Haber cycles as well as vibrational data of heterodimeric and homodimeric radical cations of the series [F2O2]+, [F2Cl2]+, [Cl2O2]+, [F4]+, and [Cl4]+. The so far experimentally unknown species [F4]+, [F2O2]+ and [F2Cl2]+ are predicted to be thermochemically stable and could be possible targets for gas-phase or matrix-isolation experiments. Furthermore, their stabilities as homodimeric [X4]+ or heterodimeric [X2Y2]+ radical cation salts in the solid state have been estimated by Born-Fajans-Haber cycles.
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