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    Pi-Dimerization of Oligothienoacene Radical Cations

    • Autor
      Ruiz-Delgado, María del CarmenAutoridad Universidad de Málaga; Capel-Ferrón, Cristina; Capdevila-Cortada, Marçal; Hartl, Frantisek; Hernández-Jolín, VíctorAutoridad Universidad de Málaga; Novoa, Juan J.; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga
    • Fecha
      2014-10-29
    • Palabras clave
      Semiconductores orgánicos
    • Resumen
      Oligothienoacenes, the fused-ring analog of -linked oligothiophenes, belong to the most promising candidates for organic electronic applications. This is in part due to their densely packed solid-state structures resulting in high charge carrier mobilities.1 In recent years, there has been a growing interest in the study of the -dimerization of conjugated radical cations with a dual purpose: (i) elucidation of the nature of the charge-transport phenomena in -doped semiconducting polymers and (ii) development of supramolecular bonding ideas for applications in material science.2 However, the π-dimerization of planar conjugated radical cations in solution is scarce and usually encountered at low temperatures. In this work, the exceptional -dimerization capability showed by radical cations of oligothienoacenes is investigated for the first time. To this end, we make use of a joint experimental and theoretical approach that combines different spectroscopic techniques with advanced DFT calculations. Our results evidence that the incorporation of bulky TIPS groups prevents the -dimerization while the ,-substitution with n-decyl groups in heptathienoacene or -substitution with thienyl groups in tetrathienoacene favors the -dimer formation.3 The nature, structure and stability of the different aggregate structures formed in the course of the oxidation are rigorously analyzed with the help of exhaustive DFT and TD-DFT calculations.
    • URI
      http://hdl.handle.net/10630/8336
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    Resúmenes XI-SIJ_RuizDelgado-1.pdf (213.1Kb)
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