BIINTEL Medidas de Conductancia Unimolecular en Nuevos Compuestos Birradicales. (Subproyecto) Birradicales para Espintrónica y Aplicaciones Termoeléctricas

Edmund Leary (coordinator)

Funding :

PID2021-127964NB-C21

Duration:

Biradicals are compounds with an even number of electrons, but with two that are unpaired. This project relies on Kekule-type biradicals in which electronic repulsion between the unpaired electron in the singlet state decreases due to delocalization. This means the singlet state becomes more stable than the triplet and, thus, becomes the ground state. This gives the potential for interconversion between the two states via an exchange interaction. Biradicals are expected to have important applications in materials science due to their electronic structure, and they are particularly interesting candidates as molecular magnets, but also as conductors of electrical charge due to their open-shell character. Importantly, their inherent instability/reactivity can be tamed by introducing bulky substituents around the radical centers (kinetic stabilization) or extending the conjugated skeleton with additional aromatic rings (thermodynamic stabilization). Here we will examine if such stabilisation will allow molecules to be measured in molecular junctions and we will explore their conductance, thermoelectric and magnetic properties.

The project in a coordinated national project in collaboration with Alba Millan at the University of Granada.