Computational study on the ring-opening reaction of protonated oxirane and methylpropene |
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| Authors: | James M. Coxon Michael A.E. Townsend |
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| Affiliation: | Department of Chemistry, University of Canterbury, Christchurch, New Zealand |
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| Abstract: | A computational study on the intermolecular reaction of protonated oxirane with methylpropene, as a model for initiation of oxidosqualene cyclisation, shows that the SN2-like ring opening is strongly exothermic with a low barrier to reaction and establishes the geometry of the intermolecular reaction. |
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