Gas-phase synthesis of naphthalene through an unconventional thermal alkyne-alkene [2 + 2] cycloaddition mechanism.

ABSTRACT: Exotic cycloaddition entrance channels were discovered for the bimolecular gas-phase reactions of the phenylethynyl radical (C₆H₅CC, X²A₁) with ethylene-d₄ (C₂D₄) and propylene (C₃H₆) as explored under single-collision conditions utilizing the crossed molecular beams technique combined with electronic structure and statistical calculations. Connecting the concepts of barrierless entrance channels, excited states, and facile non-photochemically activated cycloadditions, the reaction pathway features an unconventional thermal [2 + 2] cycloaddition forming a four-membered ring collision complex followed by multiple isomerizations prior to unimolecular decomposition via atomic hydrogen los

SUBMITTER: Goettl SJ 

PROVIDER: S-EPMC12569633 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature