A unique trimeric triphenylene radical cation: stacking aggregation, bonding, and stability.

ABSTRACT: A new and unique π-stacking triphenylene trimer cation radical unit appears in the crystal structure of a newly synthesized salt with an oligomeric gallium(iii) chloride, [(C₁₈H₁₂)₃]˙⁺(Ga₃Cl₁₀)^-, which is the first triphenylene aggregate observed. The structure is attributed to a shared electron distributed over the trimer displaying π-stacking pancake bonding. Computational modeling rationalizes the appearance of a "chain-shaped" rather than a "star-shaped" gallium chloride anion as well as the reasons why the trimer, rather than a radical cation aggregate of different size, is preferred in this system. Moreover, the calculations allowed evaluation of larger cationic triphenylene radical π-stacked aggregates. Add

SUBMITTER: Bhattacharjee R 

PROVIDER: S-EPMC11376047 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature