RT Conference Proceedings
T1 Pi-Dimerization of Oligothienoacene Radical Cations
A1 Ruiz-Delgado, María del Carmen
A1 Capel-Ferrón, Cristina
A1 Capdevila-Cortada, Marçal
A1 Hartl, Frantisek
A1 Hernández-Jolín, Víctor
A1 Novoa, Juan J.
A1 López-Navarrete, Juan Teodomiro
K1 Semiconductores orgánicos
AB 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.
YR 2014
FD 2014-10-29
LK http://hdl.handle.net/10630/8336
UL http://hdl.handle.net/10630/8336
LA eng
NO Universidad de Málaga. Campus de Excelencia de Andalucía Tech
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 20 ene 2026