Sulfur Atom Manipulates Geometric Isomerism of Diphosphinine Oxides for Efficient Delayed Fluorescence Diodes

2021 ◽  
pp. 129912
Author(s):  
Fuxing Jiao ◽  
Chengming Zhang ◽  
Guang Lu ◽  
Yi Man ◽  
Chunbo Duan ◽  
...  
Keyword(s):  
Sulfur Atom ◽  
Delayed Fluorescence ◽  
Geometric Isomerism

Charge-transfer transition regulation of thermally activated delayed fluorescence emitters by changing the valence of sulfur atoms

2020 ◽  
Vol 8 (48) ◽  
pp. 17457-17463
Author(s):  
Xiang Zhang ◽  
Jia-Xiong Chen ◽  
Kai Wang ◽  
Yi-Zhong Shi ◽  
Xiao-Chun Fan ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Sulfur Atom ◽  
Delayed Fluorescence ◽  
Charge Transfer Transition ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Charge Transfer Transitions

Changing the valence of a sulfur atom to form two novel thermally activated delayed fluorescence emitters with different charge transfer transitions.

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>

Aromaticity in heterocyclic molecules containing divalent sulfur

1988 ◽  
Vol 53 (9) ◽  
pp. 2023-2054 ◽  
Author(s):  
Milan Randić ◽  
Sonja Nikolić ◽  
Nenad Trinajstić
Keyword(s):  
Sulfur Atom ◽  
Positional Isomers ◽  
Heterocyclic Molecules ◽  
Resonance Energies ◽  
Conjugated Circuits ◽  
Divalent Sulfur

The conjugated circuits model is applied to heterocycles containing divalent sulfur. A novel parametrization is introduced for 4n + 2 and 4n conjugated circuits containing a single sulfur atom. The relative aromatic stabilities of a number of heterocyclic systems containing divalent sulfur are studied. Comparison is made whenever possible with earlier reported resonance energies of these compounds, obtained by using Huckel MO and SCF π-MO models, and appropriate reference structures. Special attention is given to positional isomers. An explanation of the differences amongst such isomers is given.

scholarly journals Understanding delayed fluorescence and triplet decays of Protoporphyrin IX under hypoxic conditions

2021 ◽  
Author(s):  
Marek Scholz ◽  
Gauthier Croizat ◽  
Jakub Pšenčík ◽  
Roman Dědic ◽  
Santi Nonell ◽  
...  
Keyword(s):  
Protoporphyrin Ix ◽  
Delayed Fluorescence ◽  
Hypoxic Conditions

New hole transport styrene polymers bearing highly π-extended conjugated side-chain moieties for high-performance solution-processable thermally activated delayed fluorescence OLEDs

2021 ◽  
Vol 12 (11) ◽  
pp. 1692-1699
Author(s):  
Ji Hye Lee ◽  
Jinhyo Hwang ◽  
Chai Won Kim ◽  
Amit Kumar Harit ◽  
Han Young Woo ◽  
...  
Keyword(s):  
High Performance ◽  
High Efficiency ◽  
Delayed Fluorescence ◽  
Hole Transport ◽  
Side Chain ◽  
Solution Processed ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Turn On ◽  
Solution Processable

New polystyrene-based polymers with high π-extended hole transport pendants were synthesized to obtain a low turn-on voltage and high efficiency in solution-processed green TADF-OLEDs.

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