Experimental and theoretical studies of highly emissive dinuclear Cu(i) halide complexes with delayed fluorescence

2015 ◽  
Vol 44 (25) ◽  
pp. 11649-11659 ◽  
Author(s):  
Liju Kang ◽  
Jin Chen ◽  
Teng Teng ◽  
Xu-Lin Chen ◽  
Rongmin Yu ◽  
...  
Keyword(s):  
Photophysical Properties ◽  
Delayed Fluorescence ◽  
Theoretical Studies ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Halide Complexes ◽  
Experimental And Theoretical Studies

Experimental and theoretical studies of the photophysical properties of three novel emissive dinuclear Cu(i) halide complexes with thermally activated delayed fluorescence (TADF) are reported.

Solvent Dependence of Structural Dynamics and Spin-flip Processes in 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (ortho-3CzBN)

2020 ◽  
Author(s):  
Masaki Saigo ◽  
Kiyoshi Miyata ◽  
Hajime Nakanotani ◽  
Chihaya Adachi ◽  
Ken Onda
Keyword(s):  
Dft Calculations ◽  
Excited States ◽  
Structural Changes ◽  
Photophysical Properties ◽  
Delayed Fluorescence ◽  
Time Resolved ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Solvent Dependence ◽  
Acetonitrile Solutions

We have investigated the solvent-dependence of structural changes along with intersystem crossing of a thermally activated delayed fluorescence (TADF) molecule, 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (o-3CzBN), in toluene, tetrahydrofuran, and acetonitrile solutions using time-resolved infrared (TR-IR) spectroscopy and DFT calculations. We found that the geometries of the S1 and T1 states are very similar in all solvents though the photophysical properties mostly depend on the solvent. In addition, the time-dependent DFT calculations based on these geometries suggested that the thermally activated delayed fluorescence process of o-3CzBN is governed more by the higher-lying excited states than by the structural changes in the excited states.<br>

Photoluminescence properties of TADF-emitting three-coordinate silver(i) halide complexes with diphosphine ligands: a comparison study with copper(i) complexes

2017 ◽  
Vol 46 (37) ◽  
pp. 12446-12455 ◽  
Author(s):  
Masahisa Osawa ◽  
Masashi Hashimoto ◽  
Isao Kawata ◽  
Mikio Hoshino
Keyword(s):  
Delayed Fluorescence ◽  
Diphosphine Ligands ◽  
Comparison Study ◽  
Photoluminescence Properties ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Halide Complexes

A series of three- and four-coordinate silver(i) halide complexes exhibiting efficient blue thermally activated delayed fluorescence have been prepared.

scholarly journals Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter

2021 ◽  
Author(s):  
P Rajamalli ◽  
Federica Rizzi ◽  
Wenbo Li ◽  
Michael Jinks ◽  
Abhishek Gupta ◽  
...  
Keyword(s):  
Weak Interactions ◽  
Photophysical Properties ◽  
Energy Difference ◽  
Delayed Fluorescence ◽  
Fine Tuning ◽  
Triplet States ◽  
Thermally Activated Delayed Fluorescence ◽  
X Ray Crystallography ◽  
Thermally Activated ◽  
Mechanical Bond

We report the characterization of rotaxanes based on a carbazole–benzophenone thermally activated delayed fluorescence luminophore. We find that the mechanical bond leads to an improvement in key photophysical properties of the emitter, notably an increase in photoluminescence quantum yield and a decrease in the energy difference between singlet and triplet states, as well as fine tuning of the emission wavelength, a feat that is difficult to achieve when using covalently bound substituents. Computational simulations, supported by X-ray crystallography, suggest that this tuning of properties occurs due to weak interactions between the axle and the macrocycle that are enforced by the mechanical bond. This work highlights the benefits of using the mechanical bond to refine existing luminophores, providing a new avenue for emitter optimization that can ultimately increase the performance of these molecules.

Theoretical studies on full-color thermally activated delayed fluorescence molecules

2020 ◽  
Vol 8 (17) ◽  
pp. 5839-5846 ◽  
Author(s):  
Lei Liu ◽  
Qi Wei ◽  
Yajuan Cheng ◽  
Huili Ma ◽  
Shiyun Xiong ◽  
...  
Keyword(s):  
Delayed Fluorescence ◽  
Theoretical Studies ◽  
Efficiency Improvement ◽  
Thermally Activated Delayed Fluorescence ◽  
Exciton Dynamics ◽  
Detailed Mechanism ◽  
Thermally Activated ◽  
Full Color

This work provides a detailed mechanism for exciton dynamics in D–π–A–π–D TADF molecules and strategies for further efficiency improvement.

Solvent Dependence of Structural Dynamics and Spin-flip Processes in 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (ortho-3CzBN)

2020 ◽  
Author(s):  
Masaki Saigo ◽  
Kiyoshi Miyata ◽  
Hajime Nakanotani ◽  
Chihaya Adachi ◽  
Ken Onda
Keyword(s):  
Dft Calculations ◽  
Excited States ◽  
Structural Changes ◽  
Photophysical Properties ◽  
Delayed Fluorescence ◽  
Time Resolved ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Solvent Dependence ◽  
Acetonitrile Solutions

We have investigated the solvent-dependence of structural changes along with intersystem crossing of a thermally activated delayed fluorescence (TADF) molecule, 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (o-3CzBN), in toluene, tetrahydrofuran, and acetonitrile solutions using time-resolved infrared (TR-IR) spectroscopy and DFT calculations. We found that the geometries of the S1 and T1 states are very similar in all solvents though the photophysical properties mostly depend on the solvent. In addition, the time-dependent DFT calculations based on these geometries suggested that the thermally activated delayed fluorescence process of o-3CzBN is governed more by the higher-lying excited states than by the structural changes in the excited states.<br>

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