Deciphering Electronic and Structural Effects in Copper Corrole/Graphene Hybrids
Deciphering Electronic and Structural Effects in Copper Corrole/Graphene Hybrids
Authors
Wrighton Araneda, Kerry
Cortes Arriagada, Diego
Dreyse, Paulina
Pascal, Simon
Canard, Gabriel
Sanhueza, Luis
Cortes Arriagada, Diego
Dreyse, Paulina
Pascal, Simon
Canard, Gabriel
Sanhueza, Luis
Profesor GuĆa
Authors
Date
Datos de publicaciĆ³n:
10.1002/chem.202203175
CHEMISTRY-A EUROPEAN JOURNAL,Vol.29,,2023
CHEMISTRY-A EUROPEAN JOURNAL,Vol.29,,2023
Tipo de recurso
Article
Keywords
Materia geogrƔfica
Collections
Abstract
Non-covalent hybrid materials based on graphene and A(3)-type copper corrole complexes were computationally investigated. The corroles complexes contain strong electron-withdrawing fluorinated substituents at the meso positions. Our results show that the non-innocent character of corrole moiety modulates the structural, electronic, and magnetic properties once the hybrid systems are held. The graphene-corrole hybrids displayed outstanding stability via the interplay of dispersion and electrostatic driving forces, while graphene act as an electron reservoir. The hybrid structures exposed an intriguing magneto-chemical performance, compared to the isolated counterparts, that evidenced how structural and electronic effects contributed to the magnetic response for both ferromagnetic and antiferromagnetic cases. Directional spin polarization and spin transfer from the corrole to the graphene surface participate in the amplification. Finally, there are relations between the spin transfer, the magnetic response, and the copper distorted ligand field, offering exciting hints about modulating the magnetic response. Therefore, this work shows that copper corroles emerged as versatile building blocks for graphene hybrid materials, especially in applications requiring a magnetic response.