Locking down the electronic structure of (monopyrrolo)tetrathiafulvalene in [2]rotaxanes

Amar H. Flood*, Sune Nygaard, Bo W. Laursen, Jan O. Jeppesen, J. Fraser Stoddart

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

43 Scopus citations


The redox potentials of a highly constrained [2]rotaxane have been measured and used to model the energy of the HOMO of tetrathiafulvalene-based bistable [2]rotaxanes in their two co-conformationally isomeric states. Restrained from co-conformational movements, the measured oxidation and reduction potentials provide insights into the orbital energies and electronic structure of a (monopyrrolo)tetrathiafulvalene unit when encircled by a tetracationic cyclobis(paraquat-p-phenylene) ring.

Original languageEnglish (US)
Pages (from-to)2205-2208
Number of pages4
JournalOrganic Letters
Issue number11
StatePublished - May 25 2006

ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry


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