Cyclo[18]carbon Formation from C₁₈Br₆ and C₁₈(CO)₆ Precursors.

ABSTRACT: Although cyclo[18]carbon has been isolated experimentally from two precursors, C₁₈Br₆ and C₁₈(CO)₆, no reaction mechanisms have yet been explored. Herein, we provide insight into the mechanism behind debromination and decarbonylation. Both neutral precursors demonstrate high activation barriers of ∼2.3 eV, while the application of an electric field can lower the barriers by 0.1-0.2 eV. The barrier energy of the anion-radicals is found to be significantly lower for C₁₈Br₆ compared to C₁₈(CO)₆, confirming a considerably higher yield of cylco[18]carbon when the C₁₈Br₆ precursor is used. Elongation of the C-Br bond in the anion-radical confirms its predissociation condition. Natural bo

SUBMITTER: Suresh R 

PROVIDER: S-EPMC9661529 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature