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Design Strategies for Diradical Boron/Nitrogen Doped Carbon-Based Materials

Authors :
Olivier, Yoann
Sancho-Garcia, Juan-Carlos
Universidad de Alicante. Departamento de Química Física
Química Cuántica
Publication Year :
2023
Publisher :
Wiley-VCH GmbH, 2023.

Abstract

New heterocyclic diradicaloids (i.e., boron and nitrogen-doped polycyclic systems with open-shell ground-states) are obtained based on concomitant structural and quinoidal extensions, allowing thus to merge the best of both design strategies. The combination of experimental characterization and theoretical calculations have helped to disclose their electronic structure, as well as to rationalize their associated magnetic and photophysical properties, spanning the chemical space of available molecular templates for cutting-edge applications in organic electronics and spintronics. Y.O. acknowledges funding by the Fonds de la Recherche Scientifique-FNRS under Grant n° F.4534.21 (MIS-IMAGINE). J.-C. S.-G. acknowledges funding from the "Ministerio de Ciencia e Innovación" through the PID2019-106114GB-I00 project.

Details

Language :
English
Database :
OpenAIRE
Accession number :
edsair.od.......935..88e61e593290c747f27e44a26e0a448e