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A Distorted Hybrid Corannulene-Dibenzobistetracene.

Qi XuChu WangDan ZhengJing HeYing WangXuebo ChenHua Jiang
Published in: The Journal of organic chemistry (2021)
We have designed and synthesized a new type of distorted nanographene by Diels-Alder and Scholl reactions that contains one dibenzobistetracene (DBT, 1) core and two end-capping corannulene units. Single-crystal X-ray diffraction analyses demonstrate that nanographene 1 contains two [5] helicene subunits with a dihedral angle of 62°, consequently leading to the distorted DBT core. In addition, the photophysical properties and (non)aromaticity of 1 were investigated by the absorption and emission spectra in combination with theoretical calculations.
Keyphrases
  • density functional theory
  • high resolution
  • molecular dynamics
  • electron microscopy
  • molecular dynamics simulations
  • solid state
  • computed tomography
  • crystal structure
  • mass spectrometry
  • high speed