Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives

[Image: see text] The new generation of proposed light-emitting molecules for organic light-emitting diodes (OLEDs) has raised considerable research interest due to its exceptional feature—a negative singlet–triplet (ST) gap violating Hund’s multiplicity rule in the excited S(1) and T(1) states. We...

Descripción completa

Detalles Bibliográficos
Autores principales: Drwal, Daria, Matousek, Mikulas, Golub, Pavlo, Tucholska, Aleksandra, Hapka, Michał, Brabec, Jiri, Veis, Libor, Pernal, Katarzyna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10653106/
https://www.ncbi.nlm.nih.gov/pubmed/37864544
http://dx.doi.org/10.1021/acs.jctc.3c00781

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10653106/
https://www.ncbi.nlm.nih.gov/pubmed/37864544
http://dx.doi.org/10.1021/acs.jctc.3c00781

Ejemplares similares