Substituted Cyclopentannulated Tetraazapentacenes.

Steffen MaierRobin HeckershoffNikolai HippchenKerstin BrödnerFrank RomingerJan Freudenberg A Stephen K Hashmi Uwe H F Bunz

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2022)

Brominated pentannulated dihydrotetraazapentacenes were prepared by gold- or palladium-catalyzed 5-endo-dig cyclization of TIPS-ethynylated dihydrotetraazaacenes (TIPS = triisopropylsilyl). Post-functionalization was demonstrated by Sonogashira alkynylation and Rosenmund-von Braun cyanation. Calculations predict these species to act as n-type semiconductors, which was verified for two derivates through characterization in organic field-effect transistors.

Keyphrases

density functional theory
molecular docking
molecular dynamics simulations
molecular dynamics
silver nanoparticles
water soluble
genetic diversity
monte carlo