Excited-state singlet–triplet inversion in hexagonal aromatic and heteroaromatic compounds-Reference-Cited by-同舟云学术

Excited-state singlet–triplet inversion in hexagonal aromatic and heteroaromatic compounds

Published:2023 Issue:33 Volume:25 Page:21875-21882
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sobolewski Andrzej L.¹^ORCID,Domcke Wolfgang²^ORCID

Affiliation:

1. Institute of Physics, Polish Academy of Sciences, PL-02-668 Warsaw, Poland

2. Department of Chemistry, Technical University of Munich, D-75747 Garching, Germany

Abstract

The inversion of the energies of the lowest singlet (S1) and lowest triplet (T1) excited states in violation of Hund's multiplicity rule is a rare phenomenon in stable organic molecules.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01666H

Reference57 articles.

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

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

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

4. Large Inverted Singlet–Triplet Energy Gaps Are Not Always Favorable for Triplet Harvesting: Vibronic Coupling Drives the (Reverse) Intersystem Crossing in Heptazine Derivatives

5. Establishing design strategies for emissive materials with an inverted singlet–triplet energy gap (INVEST): a computational perspective on how symmetry rules the interplay between triplet harvesting and light emission

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