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Perturbational molecular orbital calculations were applied to a series of polynuclear aromatic hydrocarbons (PAH) to assess the energetics involved in generating electrophilic carbonium ions of two types, triol and benzylic carbonium ions. ΔE/β, an index of carbonium ion formation and stability, was nearly always higher for benzylic carbonium ions attached to mesoanthracenic positions of PAHs than...
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