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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Autores principales:	Nguyen Le Phuoc, Alexander C. Brannan, Alexander S. Romanov, Mikko Linnolahti
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	MDPI AG 2023-05-01
Colección:	Molecules
Materias:	carbene–metal–amide thermally activated delayed fluorescence cyclic (alkyl)(amino) carbene photoluminescence computational
Acceso en línea:	https://www.mdpi.com/1420-3049/28/11/4398
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