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(Referência obtida automaticamente do Web of Science, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores.)

Tackling the Self-Aggregation of Ir-III Complexes: A Theoretical Study

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Autor(es):
Coelho, Joao Paulo [1] ; Almeida, Tiago R. [1] ; Albuquerque, Rodrigo Q. [1, 2]
Número total de Autores: 3
Afiliação do(s) autor(es):
[1] Univ Sao Paulo, Sao Carlos Inst Chem, BR-13560970 Sao Carlos, SP - Brazil
[2] Liverpool John Moores Univ, Sch Pharm & Biomol Sci, Liverpool L3 3AF, Merseyside - England
Número total de Afiliações: 2
Tipo de documento: Artigo Científico
Fonte: European Journal of Inorganic Chemistry; n. 23, p. 2631-2636, JUN 22 2018.
Citações Web of Science: 0
Resumo

Ir-III complexes are widely used in electroluminescent devices because of their appropriate photophysical properties. In the device, they can undergo supramolecular aggregation, which quenches their luminescence, as well as red shifts their emission, therefore downgrading the optical properties of the device. Here, we show that self-aggregation and red shift can be both prevented by designing new Ir-III complexes using well-established blue-emitting ones. Density functional theory (DFT) calculations reveal that the emitting triplet state of blue emitting Ir-III complexes modified with appropriate substituents do not red shift and their supramolecular aggregation is less favorable than that of the precursor unmodified compounds. These results open up new possibilities to tackle one of the downgrading mechanisms observed in luminescent devices. (AU)

Processo FAPESP: 14/02071-5 - Investigação teórica da agregação de complexos catiônicos de Ir(III) com potencial aplicação em LECs e OLEDs
Beneficiário:Rodrigo Queiroz de Albuquerque
Linha de fomento: Auxílio à Pesquisa - Regular