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Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. C 2020, 124, 28, 15007-15014
RETURN TO ISSUEPREVC: Energy Conversion...C: Energy Conversion and Storage; Energy and Charge TransportNEXT

Impact of Chlorine on the Internal Transition Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN

Cite this: J. Phys. Chem. C 2020, 124, 28, 15007–15014
Publication Date (Web):June 23, 2020
https://doi.org/10.1021/acs.jpcc.0c03341
Copyright © 2020 American Chemical Society
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Abstract

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We analyze internal transition rates and the singlet–triplet energy gap of the thermally activated delayed fluorescence (TADF) molecule 3CzClIPN, which recently was introduced as an efficient photocatalyst. The distribution and origin of the non-monoexponential decays, which are commonly observed in TADF films, are revealed by an analysis of transient fluorescence with an inverse Laplace transform. A numerically robust global rate fit routine, which extracts all relevant TADF parameters by modeling the complete set of data, is introduced. To compare and verify the results, all methods are also applied to the well-known 4CzIPN. The influence of the molecular matrix is discussed by embedding low concentrations of TADF molecules in polystyrene films. Finally, quantum chemical calculations are compared to the experimental results to demonstrate that the chlorine atom increases the charge-transfer character of the relevant states, resulting in a reduction of the singlet–triplet energy gap.

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The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpcc.0c03341.

  • Inverse Laplace fit results, additional rate model fit results, global rate fit results, kRISC(T) plots, simulation results; UV–vis spectra, quantum yield, streak measurements, and quantum chemical calculations (PDF)

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Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

Cited By

This article is cited by 1 publications.

  1. Tomas Serevičius, Rokas Skaisgiris, Gediminas Kreiza, Jelena Dodonova, Karolis Kazlauskas, Edvinas Orentas, Sigitas Tumkevičius, Saulius Juršėnas. TADF Parameters in the Solid State: An Easy Way to Draw Wrong Conclusions. The Journal of Physical Chemistry A 2021, 125 (7) , 1637-1641. https://doi.org/10.1021/acs.jpca.0c10391

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