Imidazolyl-Substituted Benzo- and Naphthodithiophenes as Precursors for the Synthesis of Transient Open-Shell Quinoids

ChemistryOpen. 2023 Nov;12(11):e202300003. doi: 10.1002/open.202300003. Epub 2023 Jan 26.

Abstract

The synthesis of three novel imidazolyl-substituted sulfur-containing heteroacenes is reported. These heteroacenes consisting of annelated benzo- and naphthothiophenes serve as precursors for the generation of open-shell quinoid heteroacenes by oxidation with alkaline ferric cyanide. Spectroscopic and computational experiments support the formation of reactive open-shell quinoids, which, however, quickly produce paramagnetic polymeric material.

Keywords: UV/vis spectroscopy; density functional theory; heteroacene; quinoid; thiophene.