Potential for Ladderane (Bio)synthesis from Oligo-Cyclopropane Precursors

摘要

Quantum chemical calculations were used to determine the energetic viability of several mechanisms for formation of ladderanes from oligocyclopropanes. Pathways involving radical cations, diradicals, and carbocations were considered, and a hybrid of carbocation and radical cation pathways was predicted to have the lowest overall barrier.