Solid-state absorption, luminescence, and singlet fission of furanyl-substituted diketopyrrolopyrroles with different pi-stacking arrangements
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F23%3A00579769" target="_blank" >RIV/61389013:_____/23:00579769 - isvavai.cz</a>
Result on the web
<a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cptc.202300201" target="_blank" >https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cptc.202300201</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cptc.202300201" target="_blank" >10.1002/cptc.202300201</a>
Alternative languages
Result language
angličtina
Original language name
Solid-state absorption, luminescence, and singlet fission of furanyl-substituted diketopyrrolopyrroles with different pi-stacking arrangements
Original language description
Small modifications of the diketopyrrolopyrrole (DPP) molecular structure induced remarkable changes in its spectral and photophysical behavior. Using furan (F) heterosubstitution instead of thiophene (T) substituent resulted in a small blue shift and decreased Huang-Rhys factor of the absorption spectra in solution, irrespectively to N,N'-alkyls. Branching of alkyl side chains by formal 2-ethylation of n-hexyl substituent (C6 to EH) switched the slipped-stack arrangement, irrespectively on the heteroatoms. Consequent changes in steady-state absorption spectra of thin films were interpreted using time dependent density functional theory calculations, carried out on model dimers. Solid-state luminescence is weak and partially dependent on an excitation wavelength. Singlet fission was observed by femtosecond transient absorption spectroscopy, with considerably different yields for variously π-stacked FDPP-EH (30 %) and FDPP-C6 (160 %). The shape of triplet-triplet absorption spectra was also influenced by various π-stacking. The results are discussed in terms of different mixing of both Frenkel and charge transfer states in model dimers and different excitonic and electronic coupling in both types of π-stacks, visualized by natural transition orbitals.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20501 - Materials engineering
Result continuities
Project
<a href="/en/project/GA22-02005S" target="_blank" >GA22-02005S: Exciton transformation in supramolecular polymers for energy conversion</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ChemPhotoChem
ISSN
2367-0932
e-ISSN
2367-0932
Volume of the periodical
7
Issue of the periodical within the volume
12
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
e202300201
UT code for WoS article
001082536700001
EID of the result in the Scopus database
2-s2.0-85173874070