scholarly journals Optical and Polarity Control of Donor–Acceptor Conformation and Their Charge-Transfer States in Thermally Activated Delayed-Fluorescence Molecules

2017 ◽  
Vol 121 (30) ◽  
pp. 16462-16469 ◽  
Author(s):  
Paloma L. dos Santos ◽  
Jonathan S. Ward ◽  
Andrei S. Batsanov ◽  
Martin R. Bryce ◽  
Andrew P. Monkman
Keyword(s):  
Charge Transfer ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Donor Acceptor

scholarly journals Synthesis and optoelectronic properties of benzoquinone-based donor–acceptor compounds

2019 ◽  
Vol 15 ◽  
pp. 2914-2921
Author(s):  
Daniel R Sutherland ◽  
Nidhi Sharma ◽  
Georgina M Rosair ◽  
Ifor D W Samuel ◽  
Ai-Lan Lee ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Delayed Fluorescence ◽  
Optoelectronic Properties ◽  
Donor Group ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Palladium Catalyzed ◽  
Donor Acceptor

Herein, we report a mild and efficient palladium-catalyzed C–H functionalization method to synthesize a series of benzoquinone (BQ)-based charge-transfer (CT) derivatives in good yields. The optoelectronic properties of these compounds were explored both theoretically and experimentally and correlations to their structures were identified as a function of the nature and position of the donor group (meta and para) attached to the benzoquinone acceptor. Compound 3, where benzoquinone is para-conjugated to the diphenylamine donor group, exhibited thermally activated delayed fluorescence (TADF) with a biexponential lifetime characterized by a prompt ns component and a delayed component of 353 μs.

scholarly journals Intramolecular Through-Space Charge-Transfer Emitters Featuring Thermally Activated Delayed Fluorescence for High-Efficiency Electroluminescent Devices

2021 ◽  
Author(s):  
Yongjun song ◽  
lei he ◽  
Mingxing Tian ◽  
Renyou Yu
Keyword(s):  
Charge Transfer ◽  
Space Charge ◽  
High Efficiency ◽  
Theoretical Calculations ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Donor Acceptor ◽  
First Time

Through-space charge-transfer (TSCT) emitters have been extensively explored for thermally activated delayed fluorescence (TADF), but arranging various donors and acceptors into rigid cofacial conformations for various efficient TSCT TADF emitters has still remained a challenge. Here we report for the first time a “fixing acceptor” design to reach various efficient TSCT TADF emitters. By chemically fixing the acceptor (benzophenone) with a rigid spiro structure and cofacially aligning various donors with the fixed acceptor, a series of efficient TSCT TADF emitters have been developed. Single-crystal structures and theoretical calculations have verified closely-packed cofacial donor/acceptor conformations and favorable TSCT in the emitters. The emitters afford sky-blue to yellow TADF emission in doped films, with high photoluminescent efficiencies of up to 0.92 and reverse intersystem crossing rates of up to 1.0×106 s−1. Organic light-emitting diodes using the emitters afford sky-blue to yellow electroluminescence with high external quantum efficiencies of up to 20.9%. The work opens a new avenue toward a wide variety of efficient TSCT TADF emitters.

scholarly journals The interplay of thermally activated delayed fluorescence (TADF) and room temperature organic phosphorescence in sterically-constrained donor–acceptor charge-transfer molecules

2016 ◽  
Vol 52 (12) ◽  
pp. 2612-2615 ◽  
Author(s):  
Jonathan S. Ward ◽  
Roberto S. Nobuyasu ◽  
Andrei S. Batsanov ◽  
Przemyslaw Data ◽  
Andrew P. Monkman ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Room Temperature ◽  
Delayed Fluorescence ◽  
Molecular Engineering ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Donor Acceptor

Molecular engineering of phenothiazine–dibenzothiophene-S,S-dioxide molecules is reported.

Exploring the Scope of Through-Space Charge-Transfer Thermally Activated Delayed Fluorescence in Acrylic Donor–Acceptor Copolymers

2021 ◽  
Vol 54 (5) ◽  
pp. 2466-2476
Author(s):  
Jade Poisson ◽  
Christopher M. Tonge ◽  
Nathan R. Paisley ◽  
Ethan R. Sauvé ◽  
Hayley McMillan ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Space Charge ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Donor Acceptor

Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design

2021 ◽  
Vol 9 (9) ◽  
pp. 3324-3333 ◽  
Author(s):  
Ke Zhao ◽  
Ömer H. Omar ◽  
Tahereh Nematiaram ◽  
Daniele Padula ◽  
Alessandro Troisi
Keyword(s):  
Virtual Screening ◽  
Quantum Chemistry ◽  
High Throughput ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Quantum Chemistry Calculations ◽  
Donor Acceptor ◽  
Molecular Semiconductors ◽  
High Throughput Virtual Screening

125 potential TADF candidates are identified through quantum chemistry calculations of 700 molecules derived from a database of 40 000 molecular semiconductors. Most of them are new and some do not belong to the class of donor–acceptor molecules.

scholarly journals Solution-Processed OLEDs Based on Thermally Activated Delayed Fluorescence Copper(I) Complexes with Intraligand Charge-Transfer Excited State

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1125
Author(s):  
Teng Teng ◽  
Jinfan Xiong ◽  
Gang Cheng ◽  
Changjiang Zhou ◽  
Xialei Lv ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Delayed Fluorescence ◽  
Quantum Yields ◽  
Functional Theory ◽  
Solution Processed ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Wide Range

A new series of tetrahedral heteroleptic copper(I) complexes exhibiting efficient thermally-activated delayed fluorescence (TADF) in green to orange electromagnetic spectral regions has been developed by using D-A type N^N ligand and P^P ligands. Their structures, electrochemical, photophysical, and electroluminescence properties have been characterized. The complexes exhibit high photoluminescence quantum yields (PLQYs) of up to 0.71 at room temperature in doped film and the lifetimes are in a wide range of 4.3–24.1 μs. Density functional theory (DFT) calculations on the complexes reveal the lowest-lying intraligand charge-transfer excited states that are localized on the N^N ligands. Solution-processed organic light emitting diodes (OLEDs) based on one of the new emitters show a maximum external quantum efficiency (EQE) of 7.96%.

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