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Journal Article

The electronic structure and energy of acyloxy and dioxacyclopropyl cations

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Citation

Reetz, M. T., & Maier, W. F. (1974). The electronic structure and energy of acyloxy and dioxacyclopropyl cations. Theoretica Chimica Acta, 35, 163-167. doi:10.1007/BF00551404.


Cite as: https://hdl.handle.net/21.11116/0000-000E-A95D-C
Abstract
The electronic structure and heats of formation of several acyloxy cations and the isomeric dioxacyclopropyl cations have been determined by MINDO/2 calculations. The potential energy surface shows the cyclic isomer to represent the least energy species. The stabilizing effect of alkyl substituents in the latter has been traced to strong hyperconjugative interaction.