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Tailoring Carbene–Metal–Amides for Thermally Activated Delayed Fluorescence: A Computationally Guided Study on the Effect of Cyclic (Alkyl)(amino)carbenes

Gold-centered carbene–metal–amides (CMAs) containing cyclic (alkyl)(amino)carbenes (CAACs) are promising emitters for thermally activated delayed fluorescence (TADF). Aiming at the design and optimization of new TADF emitters, we report a density functional theory study of over 60 CMAs with various...

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Detalles Bibliográficos
Autores principales:	Phuoc, Nguyen Le, Brannan, Alexander C., Romanov, Alexander S., Linnolahti, Mikko
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10254582/ https://www.ncbi.nlm.nih.gov/pubmed/37298874 http://dx.doi.org/10.3390/molecules28114398

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