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- W2952859893 abstract "A MINDO/3 study of the rearrangement mechanism of 1-methylcyclohexylium ion to 1-ethylcyclopentylium ion is presented. The structures at three intermediates and three transition states have been calculated and characterized. The results show that a ring-contraction mechanism via a corner-protonated cyclopropane intermediate is a more adequate description of this process than one based on an H-bridged edge-protonated cyclopropane intermediate. The value calculated for the barrier height for the ring-expansion process (14.5 kcal mol–1) is in good agreement with the experimental value (15.4 kcal mol–1) for the activation energy. The proposed mechanism resembles the Wagner–Meerwein ring-contraction reaction." @default.
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- W2952859893 date "1987-07-14" @default.
- W2952859893 modified "2023-10-18" @default.
- W2952859893 title "ChemInform Abstract: MINDO/3 Study of the Isomerization of 1-Methylcyclohexylium Ion to 1-Ethylcyclopentylium Ion. An Alternative Mechanism for This Branching Rearrangement." @default.
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- W2952859893 doi "https://doi.org/10.1002/chin.198728126" @default.
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