Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 108, Issue 15, Pages 4669-4672Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp0379042
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How far is an electron delocalized in organic conducting polymers? Insights into this aspect Lire presented by analyzing the spin distribution in radical cations of seven differently substituted aniline oligomers. The paramagnetic stages of dimers, tetramers, and hexamers were studied by EPR/ENDOR spectroscopy in fluid solution and DFT calculations. The EPR isotropic hyperfine coupling constants are compared with calculated counterparts for two model systems. In all derivatives, the main portion of the spin and the charge are confined to the central phenylenediamine moiety; i.e., only a very limited electron delocalization into the adjacent phenyl substituents exists. These experimentally established results point to a substantial contribution of interchain hole transfer in conducting polyanilines.
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