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Tubularenes.

Saber MirzaeiEdison CastroRaúl Hernández Sánchez
Published in: Chemical science (2020)
We report the synthesis and characterization of conjugated, conformationally rigid, and electroactive carbon-based nanotubes that we term tubularenes. These structures are constructed from a resorcin[n b]arene base. Cyclization of the conjugated aromatic nanotube is achieved in one-pot eight-fold C-C bond formation via Suzuki-Miyaura cross-coupling. DFT calculations indicate a buildup of strain energy in excess of 90 kcal mol-1. The resulting architectures contain large internal void spaces >260 Å3, are fluorescent, and able to accept up to 4 electrons. This represents the first scaffolding approach that provides conjugated nanotube architectures.
Keyphrases
  • photodynamic therapy
  • density functional theory
  • wastewater treatment
  • molecular dynamics simulations
  • molecular dynamics
  • high resolution
  • molecular docking
  • living cells
  • mass spectrometry
  • water soluble
  • monte carlo