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Geometries of 20 N‐[4,4′‐bis (dimethylamino)benzhydryl]‐X‐pyridinium ions (DMABh‐X‐pyridinium ions) and of corresponding heterolytic transition structures have been optimized at the M06‐2X/6‐311+G(2d,p) level of theory in the presence of the IEFPCM model with dichloromethane as a solvent. Using the optimized geometries, free energies of activation (∆G‡model) for the model heterolysis of the DMABh‐X‐pyridinium...
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