Is a small singlet–triplet energy gap a guarantee of TADF performance in MR-TADF compounds? Impact of the triplet manifold energy splitting

Author:

Keruckiene Rasa1ORCID,Vaitusionak Aliaksei A.2,Hulnik Maksim I.2,Berezianko Ivan A.2,Gudeika Dalius1,Macionis Simas1,Mahmoudi Malek1,Volyniuk Dmytro1ORCID,Valverde Danillo3ORCID,Olivier Yoann3ORCID,Woon Kai Lin4ORCID,Kostjuk Sergei V.25ORCID,Reineke Sebastian6ORCID,Grazulevicius Juozas V.1ORCID,Sini Gjergji7

Affiliation:

1. Department of Polymer Chemistry and Technology, Kaunas University of Technology, K. Barsausko st. 59, LT-50254, Kaunas, Lithuania

2. Research Institute for Physical Chemical Problems of the Belarusian State University, 14, Leningradskaya st, 220030 Minsk, Belarus

3. Laboratory for Computational Modeling of Functional Materials, Namur Institute of Structured Matter, University of Namur, Rue de Bruxelles, 61, B-5000 Namur, Belgium

4. Low Dimensional Material Research Centre, Department of Physics, University Malaya, Kuala Lumpur, Malaysia

5. Department of Chemistry, Belarusian State University, Leningradskaya st. 14, 220006, Minsk, Belarus

6. Dresden Integrated Center for Applied Physics and Photonic Materials (IAPP), Technische Universität Dresden, Dresden 01062, Germany

7. Laboratoire de Physicochimie des Polymères et des Interfaces, EA 2528, CY Cergy Paris Université, 5 mail Gay-Lussac, 95031 Cergy-Pontoise Cedex, France

Abstract

A design strategy for efficient MR-TADF emitters needs (i) avoiding aggregation by inducing steric hindrance at peripheral strategic positions, and (ii) combining lateral groups of higher donor character as compared to the central core.

Funder

Fonds De La Recherche Scientifique - FNRS

Grand Équipement National De Calcul Intensif

Horizon 2020

Publisher

Royal Society of Chemistry (RSC)

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