Application of time-resolved electron paramagnetic resonance spectroscopy in the mechanistic study of thermally activated delayed fluorescence (TADF) materials

Author(s):  
Xi Chen ◽  
Xiao Xiao ◽  
Jianzhang Zhao

Triplet exciton harvesting is crucial in organic light emitting diodes (OLEDs), because the triplet states produced by electron and hole recombination is up to 75% of the total excitons, whereas...

1991 ◽  
Vol 95 (26) ◽  
pp. 10547-10549 ◽  
Author(s):  
Malcolm D. E. Forbes ◽  
Katerina E. Dukes ◽  
Tanya L. Myers ◽  
Heather D. Maynard ◽  
Christopher S. Breivogel ◽  
...  

2018 ◽  
Vol 2018 ◽  
pp. 1-9
Author(s):  
Leilei Xie ◽  
Lifang Liu ◽  
Wenming Wang ◽  
Zhiou Ma ◽  
Liqun Xu ◽  
...  

The structures and spectral properties of three ruthenium complexes with 8-hydroxyquinoline (Hhqn) and their derivatives 2-methyl-8-quinolinoline (H2mqn) and 2-chloro-8-quiolinoline (H2cqn) as ligands (QN = hqn, 2mqn, or 2cqn) were calculated with density functional theory (DFT) at the B3LYP level. The UV-Vis and IR spectra of the three [RuCl(QN)NO]−complexes were theoretically assigned via DFT calculations. The calculated spectra reasonably correspond to the experimentally measured spectra. Photoinduced NO release was confirmed through spin trapping of the electron paramagnetic resonance spectroscopy (EPR), and the dynamic process of the NO dissociation upon photoirradiation was monitored using time-resolved infrared (IR) spectroscopy. Moreover, the energy levels and related components of frontier orbitals were further analyzed to understand the electronic effects of the substituent groups at the 2nd position of the ligands on their photochemical reactivity. This study provides the basis for the design of NO donors with potential applications in photodynamic therapy.


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