Login / Signup

Thieno-Fused Subporphyrazines: A New Class of Light Harvesters.

Henrik GotfredsenFreja Eilsø StormAlberto Viñas MuñozMarco SantellaAnders KadziolaOle HammerichKurt V MikkelsenMogens Brøndsted Nielsen
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2017)
Boron subphthalocyanines comprised of three isoindole units bridged by aza-linkages are attractive light harvesters on account of their intense low-energy absorptions. Herein, we present a class of related compounds, in which one or two isoindole units are substituted for thieno[3,4-c]pyrrole units - thieno-fused subporphyrazines. Such changes have remarkable consequences for the optical properties, as was revealed by combined experimental and theoretical studies. Thus, we find that the lowest-energy absorptions cover a much broader region with a significantly redshifted end-absorption and without compromising the absorption intensities. Thieno-fused subporphyrazines also underwent more readily oxidation and reduction, indicating an increased HOMO energy and decreased LUMO energy. In addition, they were found to readily co-crystallize with Buckminsterfullerene, C60 . Altogether, these findings render this new class of chromophores attractive candidates for light-harvesting applications.
Keyphrases
  • molecular docking
  • nitric oxide
  • case control
  • molecular dynamics simulations