Computationally Guided Molecular Design to Minimize the LE/CT Gap in D-π-A Fluorinated Triarylboranes for Efficient TADF via D and π-Bridge Tuning.

boron charge transfer delayed fluorescence organic light‐emitting diodes singlet–triplet gap quantum efficiency

Journal

Advanced functional materials
ISSN: 1616-301X
Titre abrégé: Adv Funct Mater
Pays: Germany
ID NLM: 101190390

Informations de publication

Date de publication:
03 Aug 2020
Historique:
received: 04 03 2020
revised: 29 03 2020
accepted: 03 04 2020
entrez: 11 8 2020
pubmed: 11 8 2020
medline: 11 8 2020
Statut: ppublish

Résumé

In this combined experimental and theoretical study, a computational protocol is reported to predict the excited states in D-π-A compounds containing the B(

Identifiants

pubmed: 32774198
doi: 10.1002/adfm.202002064
pii: ADFM202002064
pmc: PMC7405949
doi:

Types de publication

Journal Article

Langues

eng

Pagination

2002064

Informations de copyright

© 2020 The Authors. Published by WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.

Déclaration de conflit d'intérêts

The authors declare no conflict of interest.

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Auteurs

Ayush K Narsaria (AK)

Department of Theoretical Chemistry Amsterdam Institute of Molecular and Life Sciences (AIMMS) and Amsterdam Center for Multiscale Modeling (ACMM) Vrije Universiteit Amsterdam De Boelelaan 1083 Amsterdam NL-1081 HV The Netherlands.

Florian Rauch (F)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.
Institute for Sustainable Chemistry & Catalysis with Boron Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

Johannes Krebs (J)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.
Institute for Sustainable Chemistry & Catalysis with Boron Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

Peter Endres (P)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.
Institute for Sustainable Chemistry & Catalysis with Boron Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

Alexandra Friedrich (A)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.
Institute for Sustainable Chemistry & Catalysis with Boron Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

Ivo Krummenacher (I)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.
Institute for Sustainable Chemistry & Catalysis with Boron Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

Holger Braunschweig (H)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.
Institute for Sustainable Chemistry & Catalysis with Boron Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

Maik Finze (M)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.
Institute for Sustainable Chemistry & Catalysis with Boron Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

Jörn Nitsch (J)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.
Institute for Sustainable Chemistry & Catalysis with Boron Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

F Matthias Bickelhaupt (FM)

Department of Theoretical Chemistry Amsterdam Institute of Molecular and Life Sciences (AIMMS) and Amsterdam Center for Multiscale Modeling (ACMM) Vrije Universiteit Amsterdam De Boelelaan 1083 Amsterdam NL-1081 HV The Netherlands.
Institute for Molecules and Materials (IMM) Radboud University Heyendaalseweg 135 Nijmegen NL-6525 AJ The Netherlands.

Todd B Marder (TB)

Institute for Inorganic Chemistry Julius-Maximilians-Universität Würzburg Am Hubland Würzburg D-97074 Germany.

Classifications MeSH