On the origin of the inverted singlet–triplet gap of the 5th generation light-emitting molecules-Reference-Cited by-同舟云学术

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On the origin of the inverted singlet–triplet gap of the 5th generation light-emitting molecules

Published:2022 Issue:31 Volume:24 Page:18713-18721
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tučková Lucie¹^ORCID,Straka Michal¹,Valiev Rashid R.²^ORCID,Sundholm Dage²^ORCID

Affiliation:

1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-16610 Prague, Czech Republic

2. Department of Chemistry, Faculty of Science, University of Helsinki, A. I. Virtanens plats 1, P.O. Box 55, FI-00014 Helsinki, Finland

Abstract

The electron density difference is almost identical for the S1 and T1 states of the studied molecules with inverted singlet–triplet gap.

Funder

Magnus Ehrnroothin Säätiö

European Commission

Svenska Kulturfonden

Grantová Agentura České Republiky

Suomen Akatemia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02364D

Reference77 articles.

1. Zur Deutung verwickelter Spektren, insbesondere der Elemente Scandium bis Nickel

2. Inverted Singlet–Triplet Gaps and Their Relevance to Thermally Activated Delayed Fluorescence

3. Singlet–Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides

4. Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods

5. Negative Singlet–Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting

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2. Rational Design of Organic Emitters with Inverted Singlet–Triplet Gaps for Enhanced Exciton Management;The Journal of Physical Chemistry A;2024-08-19

3. ΔDFT Predicts Inverted Singlet–Triplet Gaps with Chemical Accuracy at a Fraction of the Cost of Wave Function-Based Approaches;The Journal of Physical Chemistry Letters;2024-07-31

4. Thiocarbonyl‐Bridged N‐Heterotriangulenes for Energy Efficient Triplet Photosensitization: A Theoretical Perspective;ChemPhysChem;2024-06-12

5. Spectroscopic Quantification of the Inverted Singlet–Triplet Gap in Pentaazaphenalene;Journal of the American Chemical Society;2024-05-30

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