RT Conference Proceedings
T1 Carbazole and indolcarbazole-based systems: impact of the structural changes on the system properties
A1 Badía-Domínguez, María Irene
A1 Hartl, Frantisek
A1 Li, Hongxiang
A1 Seki, Shu
A1 Sakamaki, Daisuke
A1 Negri, Fabrizia
A1 López Navarrete, Juan T.
A1 Hernández-Jolín, Víctor
A1 Ruiz-Delgado, María del Carmen
K1 Química -- Congresos
AB π-Conjugated diradical compounds, featuring unique unsaturated valences and radical centres inthe ground state, are fundamentally important for understanding the nature of chemical bonds andhave potential applications in material science [1]. During the last decade, there has been anincreasing interest in the rationalization of how the structural changes stabilize (or destabilize)the diradical system. The tunability of the diradical character has been studied for differentstructural motifs such as the substitution pattern of lateral groups[2], the elongation of theconjugated core[3] or the molecular isomerism[4], among others. In this sense, we have recentlyreported an experimental/theoretical study of a family of carbazole-based diradicaloids withdicyanomethylene (DCM) groups incorporated via para (p-Cz and p-ICz) or meta positions (mCz and m-ICz) aiming to investigate how external stimuli impact on the molecular structure andsupramolecular organization, and thus on the resulting optical and electronic properties. Inaddition, we theoretically investigate at the DFT level a set of ten indolocarbazole-based isomerssubstituted with DCM groups to disclose how their chemical reactivity and physical propertiesare affected by isomerism and different substitution pattern.
YR 2022
FD 2022
LK https://hdl.handle.net/10630/25538
UL https://hdl.handle.net/10630/25538
LA eng
NO Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech.Plan Propio de Investigación de la UMA
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 21 ene 2026