Abstract
Azulene is a promising building block for creating innovative polycyclic aromatic hydrocarbons.This study involved the construction of three nonalternant isomers of pentacene by fusing two azulene units,named Az-PH1/2/3.Az-PH1 was initially developed through the rhodium(Ⅱ)-catalyzed cyclization of bis(N-tosylhydrazone)s.Intriguingly,Az-PH1 was also unexpectedly obtained during a nickel(0)-catalyzed one-step tandem reaction.We investigated the optical and electrochemical properties,aromaticity,and photo-oxidative stability of Az-PH1,comparing it with the well-known pentacene using density functional theory,electrochemical,and photophysical tests.Our results showed that the azulene-fusing strategy re-sulted in a molecule with narrow optical bandgaps(2.046 eV)and a long half-life time under ambient air conditions.
维普
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