posted on 2023-11-30, 15:04authored byArya Bhattacharyya, Md Raja Sk, Supreeta Sen, Samrat Kundu, Modhu Sudan Maji
A masked-bay-region
selective first-row transition-metal Cp*Co(III)-catalyzed
annulative π-extension of arene-derived ketones is achieved
to afford K-region-functionalized benzo[e]pyrenes,
benzotetraphenes, and pyrenes. Comprehensive density functional theory
studies buttress the mechanistic pathway comprising key steps like peri-C–H activation, alkyne 1,2-migratory insertion,
and nucleophilic attack toward ketone, this attack being the rate-determining
step. In addition, π-conjugated 1,1′-bipyrenes, potential
photocatalyst pyrene-quinones, and putative n-type semiconductor cyano
group-containing dibenzo[de,qr]tetracenes
are also accessed.