Abstract
MINDO-Forces calculations are reported, after complete geometry optimization, for 2-X-allyl cations and anions, where X is O- , OH, NH2, CH3, NO2, CN, CF3, F, CHO.In the case of the allyl cation, it was found that the substituents O- , OH, NH2 are stabilizing, CH3 is slightly stabilizing and all other substituents are destabilizing.In the case of the allyl anions, all the substituents are stabilizing. It was found that the substituents CH3, O- , CN show the amphielectronic behaviour. Calculations predict no (1,3) π interaction in 2-substituted ally cations and anions.
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