Two-Step Synthesis, Structure, and Optical Features of a Double Hetero[7]helicene

Molecules. 2022 Dec 19;27(24):9068. doi: 10.3390/molecules27249068.

Abstract

A novel double aza-oxa[7]helicene was synthesized from the commercially available N1,N4-di(naphthalen-2-yl)benzene-1,4-diamine and p-benzoquinone in two steps. Combining the acid-mediated annulation with the electrochemical sequential reaction (oxidative coupling and dehydrative cyclization) afforded this double hetero[7]helicene. Moreover, the structural and optical features of this molecule have been studied using X-ray crystallographic analysis, and the absorption and emission behaviors were rationalized based on DFT calculations.

Keywords: double hetero[7]helicene; electrochemical cross-coupling; nucleus-independent chemical shift; polycyclic aromatic hydrocarbon; short-step synthesis.

MeSH terms

  • Crystallography, X-Ray
  • Cyclization
  • Molecular Structure
  • Polycyclic Compounds* / chemistry

Substances

  • helicenes
  • Polycyclic Compounds