RT Conference Proceedings
T1 Theoretical study of the electronic and charge transport properties of Coronoid Carbazole-based Macrocycles
A1 Muñoz-Alba, Fernando
A1 Badía-Domínguez, María Irene
A1 Sancho-García, Juan-Carlos
A1 Ruiz-Delgado, María del Carmen
K1 Electrónica orgánica - Congresos
AB Carbazole (Cz) units have been recognized as crucial conjugated cores in organic electronics due to their good electro- and photoactive properties compared to other heterocycles.1 Furthermore, conjugated macrocycles should be useful building blocks for the construction of 2D porous surface networks or 3D inclusion complexes among other supramolecular structures.2 One of the most interesting features of conjugated cyclic oligomers is that their electronic, structural, and optical properties can be tuned as a function of their interior and exterior domains. Therefore, a systematic study of conjugated macrocycles with well-defined diameters has crucial importance to establish structure-property relationships of these materials. For that purpose, we carried out a purely theoretical study of coronoid molecules based on three different indolocarbazoles (ICz) structural isomers (see Figure 1) as indolo[2,3-a]carbazole (23a-4MC), indolo[2,3-b]carbazole (23b-4MC) and indolo[3,2-b]carbazole (32b-4MC). This work aims to identify new macrostructures with interesting electronic properties as well as to display the usefulness of the theoretical tools to advance knowledge in the organic electronics field
YR 2024
FD 2024-02
LK https://hdl.handle.net/10630/29796
UL https://hdl.handle.net/10630/29796
LA eng
NO Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech.
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 1 mar 2026