RT Conference Proceedings
T1 Theoretical insights into the Electronic and Structural Properties of New, Low-band Gap Inherently Chiral Ethylendioxythiophene-based Oligothiophene
A1 Bruchlos, Kirsten
A1 Malacrida, Claudia
A1 Arnaboldi, serena
A1 Romana Mussini, Patrizia
A1 Panigati, Monica
A1 López-Navarrete, Juan Teodomiro
A1 Ruiz-Delgado, María del Carmen
A1 Appoloni, Giulio
A1 Ludwigs, Sabine
A1 Gámez-Valenzuela, Sergio
A1 Benincori, Tiziana
A1 Goll, Miriam
K1 Matemáticas
AB In the last years, conjugated oligothiophene macrocycles have attracted increasing scientific interest due to some peculiar properties related to their cyclic structure [1-3]. T. Benincori et al. synthesized the 2,2′-bis(2,2′-bithiophene-5-yl)-3,3′-bithianaphthene nicknamed BT2T4 (Figure 1) that represents the first member of a new class of chiral oligothiophenes in which chirality results from a tailored torsion produced in the polyconjugated backbone and not from the presence of stereogenic centres, external to it. Interestingly, the FeCl3 oxidation of the enantiopure BT2T4 produce a mixture of chiral macrocycles, like dimers and trimers. [4]Recently, also thanks to DFT and TD-DFT calculations, we have studied the new monomer BT2E4 in order to investigate the role of the insertion of 3,4-ethylenedioxythiophene (EDOT) units on the electronic and molecular properties of neutral and charged monomer and oligomer species. Furthermore, the electroactive films were evaluated by cyclic voltammetry (CV), UV/vis spectroelectrochemistry and CV coupled with in-situ conductance measurements. [5]
YR 2018
FD 2018-12-18
LK https://hdl.handle.net/10630/17085
UL https://hdl.handle.net/10630/17085
LA eng
NO Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 3 mar 2026