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Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet–triplet gaps

Molecules where the first excited singlet state is lower in energy than the first excited triplet state have the potential to revolutionize OLEDs. This inverted singlet–triplet gap violates Hund's rule and currently there are only a few molecules which are known to have this property. Here, we...

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Detalles Bibliográficos
Autores principales: Garner, Marc H., Blaskovits, J. Terence, Corminboeuf, Clémence
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10548509/
https://www.ncbi.nlm.nih.gov/pubmed/37800005
http://dx.doi.org/10.1039/d3sc03409g