Computational descriptor analysis on excited state behaviours of a series of TADF and non-TADF compounds-Reference-Cited by-同舟云学术

Computational descriptor analysis on excited state behaviours of a series of TADF and non-TADF compounds

Published:2022 Issue:26 Volume:24 Page:16167-16182
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ulukan Pelin¹^ORCID,Bas Ekin Esme¹^ORCID,Ozek Rengin Busra¹,Dal Kaynak Cansul¹,Monari Antonio²³^ORCID,Aviyente Viktorya¹^ORCID,Catak Saron¹^ORCID

Affiliation:

1. Department of Chemistry, Bogazici University, Bebek, 34342, Istanbul, Turkey

2. Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France

3. Université de Paris and CNRS, Itodys, F-75006 Paris, France

Abstract

Thermally activated delayed fluorescence (TADF) behaviours of 17 organic TADF emitters and two non-TADF chromophores bearing various donor and acceptor moieties were investigated, focusing on torsion angle, singlet–triplet gap (ΔEST), spin orbit coupling (SOC) and topological ΦS index.

Funder

Türkiye Bilimsel ve Teknolojik Araştirma Kurumu

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP01323A

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1. Organic electroluminescent diodes

2. Anthraquinone-Based Intramolecular Charge-Transfer Compounds: Computational Molecular Design, Thermally Activated Delayed Fluorescence, and Highly Efficient Red Electroluminescence

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