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Keywords:

  • density functional calculations;
  • electron transfer;
  • energy conversion;
  • host–guest systems;
  • porphyrinoids

Abstract

The three-unit homoaromatic electron-delocalizing nature of the benzo-fused tetra(triptycene)porphyrins (TTPs) with a three-dimensional conjugated model is clarified using density functional theory studies. Due to the electron delocalization, the unidirectional photon-induced current of this kind of TTP molecular skeleton with a highest efficiency of about 90 % in the range between 350 and 500 nm gives them great potential as efficient solar antenna collectors. In addition, their active triptycene cups fused at the central porphyrin core render possible potential application in host–guest chemistry.