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Rylenediimide-(Bis)triazinyls: Synthesis, Characterization, and Magnetic Properties

Obiettivo

Polycyclic aromatic hydrocarbons (PAHs) with stable open-shell ground-states are needed for state-of-the-art applications, e.g. organic spintronics, electronics, energy storage etc. Herein, we propose rylenediimides (naphthalenediimide; NDI / perylenediimide; PDI) as promising PAH scaffolds for building multifaceted Blatter-type (di)radical conjugates that are typically inherently stable but also readily prepared. The introduction of [e]-ring fusion of the triazinyl moiety (Blatter-type) promotes planarization and rigidity of the rylenediimide core to allow spin delocalization, which electronically stabilizes the rylenediimides-(bis)triazinyl conjugates: DFT calculations support the high spin delocalization across the N−C−N−N tetrad (triazinyl) unit and the π backbone (NDI/PDIs). Three rylenediimide-mono(triazinyl) and two rylenediimide-bis(triazinyl) conjugates will be prepared and studied. The latter were selected from DFT computational studies of eleven possible NDI/PDI-bistriazinyl conjugates owing to low singlet-triplet energy gaps (< –1 kcal/mol) that indicate potential singlet biradical behavior. The triplet states of these conjugates could be accessible by heat or light which will open up the opportunity of having desirable switchable materials. The selected five rylenediimide-(bis)triazinyl conjugates will be synthesized via our previously optimized straightforward synthetic protocols. After standard characterization, magnetic and spintronic properties (conductivity and film forming properties) will be investigated. Single crystal X-ray crystallography, EPR and SQUID studies will validate spin states, singlet-triplet energy gaps, and solid-state magnetic properties. The project will advance the field of organic electronics.

Campo scientifico (EuroSciVoc)

Parole chiave

Programma(i)

Argomento(i)

Meccanismo di finanziamento

HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

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(si apre in una nuova finestra) HORIZON-WIDERA-2022-TALENTS-04

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Coordinatore

UNIVERSITY OF CYPRUS
Contributo netto dell'UE
€ 164 328,00
Indirizzo
AVENUE PANEPISTIMIOU 2109 AGLANTZI
1678 Nicosia
Cipro
Regione
Κύπρος Κύπρος Κύπρος
Tipo di attività
Higher or Secondary Education Establishments
Collegamenti
Costo totale
Nessun dato