Redox States of Long Oligothiophenes: Two Polarons on a Single Chain

Autor:	Jérôme Cornil, René A. J. Janssen, E.E. Havinga, John A. E. H. van Haare, Joost L. J. van Dongen, Jean-Luc Brédas
Rok vydání:	1998
Předmět:	Conductive polymer Bipolaron Chemistry Organic Chemistry Charge (physics) General Chemistry Single chain Polaron Redox Catalysis Coulomb repulsion Computational chemistry Chemical physics Condensed Matter::Strongly Correlated Electrons Pi interaction
Zdroj:	Chemistry – A European Journal. 4:1509-1522
ISSN:	1521-3765 0947-6539
DOI:	10.1002/(sici)1521-3765(19980807)4:8<1509::aid-chem1509>3.0.co;2-#
Popis:	Can two isolated radical cations (polarons) exist simultaneously on a π-conjugated chain or do they coalesce into a single, doubly charged spinless (bipolaron) deformation? This long-standing question, fundamental to charge transport in conducting polymers, is now resolved by an investigation of the redox states of long oligothiophenes (below) in solution. In contrast to short oligothiophenes, for long oligothiophene dications two individual polarons prevail because of the decrease in Coulomb repulsion energy obtained by moving the two charges apart.
Databáze:	OpenAIRE
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