Infrared and Raman spectra of a new radical cation charged defect created on a well-barrier-well thiophene-based oligomer

We have studied the Fourier transform Infrared (FT‐IR) and the Fourier transform Raman (FT‐Raman) spectra of a well– barrier– well thiophene‐based oligomer oxidized with dry iodine vapour. These new data, when combined with the full vibrational assignment of the oligomer in the neutral state, provid...

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Bibliographic Details
Published in:Journal of Raman spectroscopy 2000-07, Vol.31 (7), p.565-570
Main Authors: Casado, J., Hernández, V., Kanemitsu, Y., López Navarrete, J. T.
Format: Article
Language:English
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Summary:We have studied the Fourier transform Infrared (FT‐IR) and the Fourier transform Raman (FT‐Raman) spectra of a well– barrier– well thiophene‐based oligomer oxidized with dry iodine vapour. These new data, when combined with the full vibrational assignment of the oligomer in the neutral state, provide a complete spectroscopic characterization of a new positive polaron‐type model defect in an electronic segmented molecule. The FT‐IR and FT‐Raman spectra were also calculated at the B3LYP/6– 31G** level as an aid to the vibrational assignment of the main bands in the whole spectral range. Copyright © 2000 John Wiley & Sons, Ltd.
ISSN:0377-0486
1097-4555
DOI:10.1002/1097-4555(200007)31:7<565::AID-JRS578>3.0.CO;2-W