Electronic properties of the base and protonated forms of polypyrrylenemethine, a small bandgap conjugated polymer

J. M. Toussaint*, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

We present MNDO geometry optimization results and VEH band structure calculations on the base and protonated forms of polypyrrylenemethine (PPM), a conjugated polymer based on oxidized pyrrole rings bridged by a methine-type carbon. The 1.47 eV bandgap calculated for neutral PPM decreases to 0.78 eV after protonation of the nitrogens. This is a consequence of the geometry modifications imposed by the protonation process which leads to a situation where the pyrrole rings alternate between aromatic and quinoid geometries. It is important pointing out that both the neutral and protonated forms of PPM have been recently synthesized.

Original languageEnglish (US)
Pages (from-to)3555-3558
Number of pages4
JournalSynthetic Metals
Volume43
Issue number1-2
DOIs
StatePublished - Jun 7 1991

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

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