Excited state dynamics of new-type thermally activated delayed fluorescence emitters: theoretical view of light-emitting mechanism

Excited state dynamics of two new-type thermally activated delayed fluorescence emitters (DABNA-1 and DABNA-2) synthesised based on multiple resonance effect is studied based on first-principles calculation, and their light-emitting mechanism is explored. The excited state dynamics combing with the...

Full description

Saved in:
Bibliographic Details
Published in:Molecular physics 2018-01, Vol.116 (1), p.19-28
Main Authors: Lin, Lili, Fan, Jianzhong, Cai, Lei, Wang, Chuan-Kui
Format: Article
Language:English
Subjects:
Adiabatic flow
Emitters
Excitation
excited state dynamics
First principles
Fluorescence
nonradiative decay
reorganisation energy
reverse intersystem crossing
Thermally activated delayed fluorescence
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Excited state dynamics of two new-type thermally activated delayed fluorescence emitters (DABNA-1 and DABNA-2) synthesised based on multiple resonance effect is studied based on first-principles calculation, and their light-emitting mechanism is explored. The excited state dynamics combing with the adiabatic energy structure of several low-lying excited states indicates that three lowest triplet states are involved in the light-emitting process. The analysis of reorganisation energy indicates different performances for two molecules in solvent and in film. Our theoretical work provides rational explanation for experimental results, and also gives clear picture for light-emitting mechanism of these new-type molecules.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268976.2017.1362119