The frontiers of quinoidal stability in long oligothiophenes: Raman spectra of dicationic polaron pairs

J Am Chem Soc. 2011 Oct 19;133(41):16350-3. doi: 10.1021/ja2061903. Epub 2011 Sep 23.

Abstract

The transformation of bipolarons into polaron pairs in long oligothiophene dications has been reported by Raman spectroscopy. These polaron-pair dicationic species possess singlet open-shell biradicaloid ground electronic states. The formation of biradical polaron pairs marks the end of the quinoidal stability promoted by the intrinsic proaromatic character. The quinoidal stability in TCNQ oligothiophenes in comparison with dicationic oligothiophenes has been addressed.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cations / chemistry
  • Free Radicals / chemistry
  • Molecular Structure
  • Quantum Theory
  • Quinones / chemistry*
  • Spectrum Analysis, Raman
  • Stereoisomerism
  • Thiophenes / chemistry*

Substances

  • Cations
  • Free Radicals
  • Quinones
  • Thiophenes