Abstract
The thermal addition reaction between the 1-butene radical cation and an ethene molecule, and the photochemical isomerization reaction converting the 1-butene cation into the radical cation of cis-2-butene, observed in low-temperature halocarbon matrices, have been studied by means of semiempirical PM3 and ab initio UHF, PUHF, MP2, and PMP2 methods. For the addition reaction, a stable primary addition complex is isolated on the potential surface governing the reaction as well as a transition-state structure with a hydrogen atom half-way transferred
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