Experimental and theoretical study of the infrared and raman spectra of a substituted sexithiophene in five oxidation states

J. Casado, L. L. Miller, K. R. Mann, T. M. Pappenfus, V. Hernández, J. T. López Navarrete

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Abstract

The infrared absorption and Raman scattering spectra recorded during the electrochemical oxidation of two sexithiophenes are reported. Using in situ spectroelectrochemical methods five oxidation states, neutral, radical cation, dication, radical trication, and tetracation of an α,α′-diphenyl sexithiophene, were studied. The experimental spectra are in agreement with the predictions of the effective conjugation coordinate theory and are in good accordance with theoretical density functional theory calculations.

Original languageEnglish (US)
Pages (from-to)3597-3605
Number of pages9
JournalJournal of Physical Chemistry B
Volume106
Issue number14
DOIs
StatePublished - Apr 11 2002

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