TY - JOUR
T1 - Experimental and theoretical study of the infrared and raman spectra of a substituted sexithiophene in five oxidation states
AU - Casado, J.
AU - Miller, L. L.
AU - Mann, K. R.
AU - Pappenfus, T. M.
AU - Hernández, V.
AU - López Navarrete, J. T.
PY - 2002/4/11
Y1 - 2002/4/11
N2 - 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.
AB - 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.
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U2 - 10.1021/jp0138678
DO - 10.1021/jp0138678
M3 - Article
AN - SCOPUS:0037062004
SN - 1089-5647
VL - 106
SP - 3597
EP - 3605
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
IS - 14
ER -