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A series of oxonium and carboxonium ions and their corresponding protonated dications were investigated by ab initio /IGLO/GIAO-MP2 methods. The calculated 17 O and 13 C NMR chemical shifts were compared with the solution phase experimental data for the monocations. The structures and energies of a number of oxonium and carboxonium dications and the effect of diprotonation on the 17 O and 13 C NMR chemical shifts were also studied.
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Olah et al. (1997) studied this question.
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